N-(3,3-dimethylbutyl)-N'-ethyl-N'-propylethane-1,2-diamine

C13H30N2 — CID 62575989

IUPACN-(3,3-dimethylbutyl)-N'-ethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CC)CCNCCC(C)(C)C
InChIInChI=1S/C13H30N2/c1-6-11-15(7-2)12-10-14-9-8-13(3,4)5/h14H,6-12H2,1-5H3
InChIKeyCBRVYCIVTNXYJY-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.74
Rot. Bonds8

About N-(3,3-dimethylbutyl)-N'-ethyl-N'-propylethane-1,2-diamine

N-(3,3-dimethylbutyl)-N'-ethyl-N'-propylethane-1,2-diamine (PubChem CID 62575989) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-N'-ethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-N'-ethyl-N'-propylethane-1,2-diamine
PubChem CID62575989
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC NameN-(3,3-dimethylbutyl)-N'-ethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CC)CCNCCC(C)(C)C
InChIInChI=1S/C13H30N2/c1-6-11-15(7-2)12-10-14-9-8-13(3,4)5/h14H,6-12H2,1-5H3
InChIKeyCBRVYCIVTNXYJY-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[ethyl(propyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 62573813
5-[2-[ethyl(propyl)amino]ethylamino]-2,2-dimethylpentanenitrile
CID 114133524
5-[2-[ethyl(propyl)amino]ethylamino]-4,4-dimethylpentanenitrile
CID 113247973
N'-ethyl-N-methyl-N'-propylethane-1,2-diamine
CID 21015837
N'-butyl-N'-ethyl-N-propylethane-1,2-diamine
CID 61386883
N-(2-bromoethyl)-N',N'-dipropylethane-1,2-diamine
CID 46738413
N-butyl-N',N'-dipropylethane-1,2-diamine
CID 54806933
N'-[2-[2-[2-aminoethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl-[2-[2-aminoethyl-[2-(3,3-dimethylbutylamino)ethyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine;2-methylpropane
CID 176972890
N'-ethyl-N-(3-methylbut-2-enyl)-N'-propylethane-1,2-diamine
CID 106547265
N-propyl-N',N'-bis[2-(propylamino)ethyl]ethane-1,2-diamine
CID 122700758
N'-butyl-N'-cyclopropyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine
CID 62553891
N-(3,3-dimethylbutyl)-3,3-dimethylpentan-1-amine
CID 170291391

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-N'-ethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N-(3,3-dimethylbutyl)-N'-ethyl-N'-propylethane-1,2-diamine (CID 62575989) is N-(3,3-dimethylbutyl)-N'-ethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N-(3,3-dimethylbutyl)-N'-ethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N-(3,3-dimethylbutyl)-N'-ethyl-N'-propylethane-1,2-diamine is CCCN(CC)CCNCCC(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutyl)-N'-ethyl-N'-propylethane-1,2-diamine?
The InChIKey is CBRVYCIVTNXYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-6-11-15(7-2)12-10-14-9-8-13(3,4)5/h14H,6-12H2,1-5H3.
What are the key properties of N-(3,3-dimethylbutyl)-N'-ethyl-N'-propylethane-1,2-diamine?
N-(3,3-dimethylbutyl)-N'-ethyl-N'-propylethane-1,2-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-N'-ethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 62575989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).