N,N-dimethylbutan-1-amine;N'-[2-[2-(propylamino)ethylamino]ethyl]ethane-1,2-diamine;1,1,3,3-tetramethylguanidine

C20H52N8 — CID 158426827

IUPACN,N-dimethylbutan-1-amine;N'-[2-[2-(propylamino)ethylamino]ethyl]ethane-1,2-diamine;1,1,3,3-tetramethylguanidine
SMILESCCCCN(C)C.CCCNCCNCCNCCN.[H]N=C(N(C)C)N(C)C
InChIInChI=1S/C9H24N4.C6H15N.C5H13N3/c1-2-4-11-6-8-13-9-7-12-5-3-10;1-4-5-6-7(2)3;1-7(2)5(6)8(3)4/h11-13H,2-10H2,1H3;4-6H2,1-3H3;6H,1-4H3
InChIKeyHBDPRNMMHHDSCR-UHFFFAOYSA-N
MW404.69 g/mol
LogP0.52
Rot. Bonds13

About N,N-dimethylbutan-1-amine;N'-[2-[2-(propylamino)ethylamino]ethyl]ethane-1,2-diamine;1,1,3,3-tetramethylguanidine

N,N-dimethylbutan-1-amine;N'-[2-[2-(propylamino)ethylamino]ethyl]ethane-1,2-diamine;1,1,3,3-tetramethylguanidine (PubChem CID 158426827) has the molecular formula C20H52N8 and a molecular weight of 404.69 g/mol. Its IUPAC name is N,N-dimethylbutan-1-amine;N'-[2-[2-(propylamino)ethylamino]ethyl]ethane-1,2-diamine;1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound NameN,N-dimethylbutan-1-amine;N'-[2-[2-(propylamino)ethylamino]ethyl]ethane-1,2-diamine;1,1,3,3-tetramethylguanidine
PubChem CID158426827
Molecular FormulaC20H52N8
Molecular Weight404.69 g/mol
Exact Mass404.43
IUPAC NameN,N-dimethylbutan-1-amine;N'-[2-[2-(propylamino)ethylamino]ethyl]ethane-1,2-diamine;1,1,3,3-tetramethylguanidine
SMILESCCCCN(C)C.CCCNCCNCCNCCN.[H]N=C(N(C)C)N(C)C
InChIInChI=1S/C9H24N4.C6H15N.C5H13N3/c1-2-4-11-6-8-13-9-7-12-5-3-10;1-4-5-6-7(2)3;1-7(2)5(6)8(3)4/h11-13H,2-10H2,1H3;4-6H2,1-3H3;6H,1-4H3
InChIKeyHBDPRNMMHHDSCR-UHFFFAOYSA-N
XLogP0.52
TPSA95.68 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.69
LogP ≤ 50.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine;bis(N',N'-dimethylpropane-1,3-diamine);ethane-1,2-diamine
CID 157170431
azane;N'-propylethane-1,2-diamine
CID 87476258
N',N'-dimethyl-N-propylbutane-1,4-diamine;ethane
CID 178117503
formaldehyde;N'-[2-(propylamino)ethyl]ethane-1,2-diamine
CID 174938120
N'-[2-(dibutylamino)ethyl]ethane-1,2-diamine
CID 54322779
N'-[2-[2-[methyl(propyl)amino]ethylamino]ethyl]ethane-1,2-diamine
CID 154558458
N',N'-dimethyl-N-propylethane-1,2-diamine;ethane
CID 134080811
cyclopropane;N'-propylethane-1,2-diamine
CID 175530712
N-dodecyl-N',N'-dimethylpropane-1,3-diamine
CID 55195797
N',N'-dimethyl-N-tetradecylpropane-1,3-diamine
CID 15792997
N',N'-dimethyl-N-pentylpropane-1,3-diamine;hydrochloride
CID 174617187
N,N-dimethylbutan-1-amine;dihydrochloride
CID 174248401

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylbutan-1-amine;N'-[2-[2-(propylamino)ethylamino]ethyl]ethane-1,2-diamine;1,1,3,3-tetramethylguanidine?
The IUPAC name of N,N-dimethylbutan-1-amine;N'-[2-[2-(propylamino)ethylamino]ethyl]ethane-1,2-diamine;1,1,3,3-tetramethylguanidine (CID 158426827) is N,N-dimethylbutan-1-amine;N'-[2-[2-(propylamino)ethylamino]ethyl]ethane-1,2-diamine;1,1,3,3-tetramethylguanidine.
What is the SMILES notation for N,N-dimethylbutan-1-amine;N'-[2-[2-(propylamino)ethylamino]ethyl]ethane-1,2-diamine;1,1,3,3-tetramethylguanidine?
The canonical SMILES for N,N-dimethylbutan-1-amine;N'-[2-[2-(propylamino)ethylamino]ethyl]ethane-1,2-diamine;1,1,3,3-tetramethylguanidine is CCCCN(C)C.CCCNCCNCCNCCN.[H]N=C(N(C)C)N(C)C.
What is the InChIKey of N,N-dimethylbutan-1-amine;N'-[2-[2-(propylamino)ethylamino]ethyl]ethane-1,2-diamine;1,1,3,3-tetramethylguanidine?
The InChIKey is HBDPRNMMHHDSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H24N4.C6H15N.C5H13N3/c1-2-4-11-6-8-13-9-7-12-5-3-10;1-4-5-6-7(2)3;1-7(2)5(6)8(3)4/h11-13H,2-10H2,1H3;4-6H2,1-3H3;6H,1-4H3.
What are the key properties of N,N-dimethylbutan-1-amine;N'-[2-[2-(propylamino)ethylamino]ethyl]ethane-1,2-diamine;1,1,3,3-tetramethylguanidine?
N,N-dimethylbutan-1-amine;N'-[2-[2-(propylamino)ethylamino]ethyl]ethane-1,2-diamine;1,1,3,3-tetramethylguanidine has a molecular weight of 404.69 g/mol, XLogP of 0.52, 13 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylbutan-1-amine;N'-[2-[2-(propylamino)ethylamino]ethyl]ethane-1,2-diamine;1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 158426827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).