N'-ethenyl-N-methyl-N'-propan-2-yl-N-(2-propylpentyl)ethane-1,2-diamine

C16H34N2 — CID 143593224

IUPACN'-ethenyl-N-methyl-N'-propan-2-yl-N-(2-propylpentyl)ethane-1,2-diamine
SMILESC=CN(CCN(C)CC(CCC)CCC)C(C)C
InChIInChI=1S/C16H34N2/c1-7-10-16(11-8-2)14-17(6)12-13-18(9-3)15(4)5/h9,15-16H,3,7-8,10-14H2,1-2,4-6H3
InChIKeyZDQSCLRLNOFZDE-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.99
Rot. Bonds11

About N'-ethenyl-N-methyl-N'-propan-2-yl-N-(2-propylpentyl)ethane-1,2-diamine

N'-ethenyl-N-methyl-N'-propan-2-yl-N-(2-propylpentyl)ethane-1,2-diamine (PubChem CID 143593224) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N'-ethenyl-N-methyl-N'-propan-2-yl-N-(2-propylpentyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethenyl-N-methyl-N'-propan-2-yl-N-(2-propylpentyl)ethane-1,2-diamine
PubChem CID143593224
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN'-ethenyl-N-methyl-N'-propan-2-yl-N-(2-propylpentyl)ethane-1,2-diamine
SMILESC=CN(CCN(C)CC(CCC)CCC)C(C)C
InChIInChI=1S/C16H34N2/c1-7-10-16(11-8-2)14-17(6)12-13-18(9-3)15(4)5/h9,15-16H,3,7-8,10-14H2,1-2,4-6H3
InChIKeyZDQSCLRLNOFZDE-UHFFFAOYSA-N
XLogP3.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethenyl-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 143238901
N-ethenyl-N-propan-2-ylpentan-1-amine
CID 174943093
N-methyl-2-propyl-N-(2-propylheptyl)heptan-1-amine
CID 140640734
N,N,5-trimethyl-2-propylhexan-1-amine
CID 123395746
2-butyl-N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 59422065
but-1-ene;N,N-dimethylpentan-2-amine;ethane
CID 145343513
1-[methyl(propyl)amino]pentan-2-ol
CID 62042570
N-butyl-N'-methyl-N',2-dipropylpropane-1,3-diamine
CID 142068040
N,7-dimethyl-N-[(2S)-2-methylbutyl]-3-propylnon-8-en-1-amine;ethane;prop-1-yne
CID 142990160
N-methyl-N-[(2S)-pentan-2-yl]-2-propan-2-ylpent-4-en-1-amine
CID 177053688
2-(bromomethyl)-N-methyl-N-(2-methylbutyl)pentan-1-amine
CID 65011302
N,N,N'-trimethyl-N'-(2-octadeca-9,12-dienylicosa-11,14-dienyl)ethane-1,2-diamine
CID 76686112

Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-N-methyl-N'-propan-2-yl-N-(2-propylpentyl)ethane-1,2-diamine?
The IUPAC name of N'-ethenyl-N-methyl-N'-propan-2-yl-N-(2-propylpentyl)ethane-1,2-diamine (CID 143593224) is N'-ethenyl-N-methyl-N'-propan-2-yl-N-(2-propylpentyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethenyl-N-methyl-N'-propan-2-yl-N-(2-propylpentyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethenyl-N-methyl-N'-propan-2-yl-N-(2-propylpentyl)ethane-1,2-diamine is C=CN(CCN(C)CC(CCC)CCC)C(C)C.
What is the InChIKey of N'-ethenyl-N-methyl-N'-propan-2-yl-N-(2-propylpentyl)ethane-1,2-diamine?
The InChIKey is ZDQSCLRLNOFZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-7-10-16(11-8-2)14-17(6)12-13-18(9-3)15(4)5/h9,15-16H,3,7-8,10-14H2,1-2,4-6H3.
What are the key properties of N'-ethenyl-N-methyl-N'-propan-2-yl-N-(2-propylpentyl)ethane-1,2-diamine?
N'-ethenyl-N-methyl-N'-propan-2-yl-N-(2-propylpentyl)ethane-1,2-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.99, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-N-methyl-N'-propan-2-yl-N-(2-propylpentyl)ethane-1,2-diamine is sourced from PubChem (CID 143593224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).