N'-butan-2-yl-N'-butyl-N-prop-2-enylethane-1,2-diamine

C13H28N2 — CID 62558135

IUPACN'-butan-2-yl-N'-butyl-N-prop-2-enylethane-1,2-diamine
SMILESC=CCNCCN(CCCC)C(C)CC
InChIInChI=1S/C13H28N2/c1-5-8-11-15(13(4)7-3)12-10-14-9-6-2/h6,13-14H,2,5,7-12H2,1,3-4H3
InChIKeyGENWPMANMKGYTA-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.66
Rot. Bonds10

About N'-butan-2-yl-N'-butyl-N-prop-2-enylethane-1,2-diamine

N'-butan-2-yl-N'-butyl-N-prop-2-enylethane-1,2-diamine (PubChem CID 62558135) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N'-butan-2-yl-N'-butyl-N-prop-2-enylethane-1,2-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N'-butyl-N-prop-2-enylethane-1,2-diamine
PubChem CID62558135
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN'-butan-2-yl-N'-butyl-N-prop-2-enylethane-1,2-diamine
SMILESC=CCNCCN(CCCC)C(C)CC
InChIInChI=1S/C13H28N2/c1-5-8-11-15(13(4)7-3)12-10-14-9-6-2/h6,13-14H,2,5,7-12H2,1,3-4H3
InChIKeyGENWPMANMKGYTA-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-butan-2-yl-N'-butyl-N-propylbutane-1,4-diamine
CID 55069340
N'-ethyl-N'-propan-2-yl-N-prop-2-enylethane-1,2-diamine
CID 62574549
N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)-N-prop-2-enylethane-1,2-diamine
CID 62556998
N-prop-2-enyltridecan-1-amine
CID 22467882
N'-butan-2-yl-N'-butyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 62557619
2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-(prop-2-enylamino)ethyl]propane-1,2-diamine
CID 103189471
2-N-butyl-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62558184
N-(2-butan-2-ylsulfanylethyl)prop-2-en-1-amine
CID 62577346
2-N-butan-2-yl-2-N-ethyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62568961
N,N-dipropylbutan-2-amine
CID 524229
N-butan-2-yl-N-butyl-N'-methyl-2-methylidenepropane-1,3-diamine
CID 103070056
N'-butan-2-yl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine
CID 62462963

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N'-butyl-N-prop-2-enylethane-1,2-diamine?
The IUPAC name of N'-butan-2-yl-N'-butyl-N-prop-2-enylethane-1,2-diamine (CID 62558135) is N'-butan-2-yl-N'-butyl-N-prop-2-enylethane-1,2-diamine.
What is the SMILES notation for N'-butan-2-yl-N'-butyl-N-prop-2-enylethane-1,2-diamine?
The canonical SMILES for N'-butan-2-yl-N'-butyl-N-prop-2-enylethane-1,2-diamine is C=CCNCCN(CCCC)C(C)CC.
What is the InChIKey of N'-butan-2-yl-N'-butyl-N-prop-2-enylethane-1,2-diamine?
The InChIKey is GENWPMANMKGYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-8-11-15(13(4)7-3)12-10-14-9-6-2/h6,13-14H,2,5,7-12H2,1,3-4H3.
What are the key properties of N'-butan-2-yl-N'-butyl-N-prop-2-enylethane-1,2-diamine?
N'-butan-2-yl-N'-butyl-N-prop-2-enylethane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.66, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N'-butyl-N-prop-2-enylethane-1,2-diamine is sourced from PubChem (CID 62558135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).