1-N'-(3,3-diethylhexan-2-yl)-1-N-propylethene-1,1-diamine

C15H32N2 — CID 170018068

IUPAC1-N'-(3,3-diethylhexan-2-yl)-1-N-propylethene-1,1-diamine
SMILESC=C(NCCC)NC(C)C(CC)(CC)CCC
InChIInChI=1S/C15H32N2/c1-7-11-15(9-3,10-4)13(5)17-14(6)16-12-8-2/h13,16-17H,6-12H2,1-5H3
InChIKeyFABMEFUZBKZAPW-UHFFFAOYSA-N
MW240.43 g/mol
LogP4.04
Rot. Bonds10

About 1-N'-(3,3-diethylhexan-2-yl)-1-N-propylethene-1,1-diamine

1-N'-(3,3-diethylhexan-2-yl)-1-N-propylethene-1,1-diamine (PubChem CID 170018068) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-N'-(3,3-diethylhexan-2-yl)-1-N-propylethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-(3,3-diethylhexan-2-yl)-1-N-propylethene-1,1-diamine
PubChem CID170018068
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name1-N'-(3,3-diethylhexan-2-yl)-1-N-propylethene-1,1-diamine
SMILESC=C(NCCC)NC(C)C(CC)(CC)CCC
InChIInChI=1S/C15H32N2/c1-7-11-15(9-3,10-4)13(5)17-14(6)16-12-8-2/h13,16-17H,6-12H2,1-5H3
InChIKeyFABMEFUZBKZAPW-UHFFFAOYSA-N
XLogP4.04
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N'-(4-methylpent-1-yn-3-yl)-1-N-propylethene-1,1-diamine
CID 143891060
4,4-diethyl-3-methylheptane
CID 53425832
1-N-(2-ethoxyethyl)-1-N'-propan-2-ylethene-1,1-diamine
CID 169160448
1-N-butyl-1-N'-(4-methylpentyl)ethene-1,1-diamine
CID 170319243
alumane;2-N,3-N,3-N'-trimethylhexane-2,3,3-triamine
CID 174343884
4-ethyl-4-methylheptane;2-methylprop-1-ene
CID 170590523
2-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]propanamide
CID 60659584
3,3-dipropylhexan-2-amine
CID 126618281
2,2-dimethyl-N-propan-2-yl-N'-propylpropanediamide
CID 108956970
2-amino-3-methyl-N-propylbutanamide;ethane
CID 143224871
ethane;(2S)-2,3,3-trimethyl-N-propylbutanamide
CID 143641888
propane;2,3,3-trimethyl-N-propylbutanamide
CID 143577775

Frequently Asked Questions

What is the IUPAC name of 1-N'-(3,3-diethylhexan-2-yl)-1-N-propylethene-1,1-diamine?
The IUPAC name of 1-N'-(3,3-diethylhexan-2-yl)-1-N-propylethene-1,1-diamine (CID 170018068) is 1-N'-(3,3-diethylhexan-2-yl)-1-N-propylethene-1,1-diamine.
What is the SMILES notation for 1-N'-(3,3-diethylhexan-2-yl)-1-N-propylethene-1,1-diamine?
The canonical SMILES for 1-N'-(3,3-diethylhexan-2-yl)-1-N-propylethene-1,1-diamine is C=C(NCCC)NC(C)C(CC)(CC)CCC.
What is the InChIKey of 1-N'-(3,3-diethylhexan-2-yl)-1-N-propylethene-1,1-diamine?
The InChIKey is FABMEFUZBKZAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-7-11-15(9-3,10-4)13(5)17-14(6)16-12-8-2/h13,16-17H,6-12H2,1-5H3.
What are the key properties of 1-N'-(3,3-diethylhexan-2-yl)-1-N-propylethene-1,1-diamine?
1-N'-(3,3-diethylhexan-2-yl)-1-N-propylethene-1,1-diamine has a molecular weight of 240.43 g/mol, XLogP of 4.04, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(3,3-diethylhexan-2-yl)-1-N-propylethene-1,1-diamine is sourced from PubChem (CID 170018068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).