2-N-(3-ethyl-5-methylheptan-4-yl)-2-N-methylprop-2-ene-1,2-diamine

C14H30N2 — CID 177338180

IUPAC2-N-(3-ethyl-5-methylheptan-4-yl)-2-N-methylprop-2-ene-1,2-diamine
SMILESC=C(CN)N(C)C(C(C)CC)C(CC)CC
InChIInChI=1S/C14H30N2/c1-7-11(4)14(13(8-2)9-3)16(6)12(5)10-15/h11,13-14H,5,7-10,15H2,1-4,6H3
InChIKeyJWEFXEQSXKZDMB-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.24
Rot. Bonds8

About 2-N-(3-ethyl-5-methylheptan-4-yl)-2-N-methylprop-2-ene-1,2-diamine

2-N-(3-ethyl-5-methylheptan-4-yl)-2-N-methylprop-2-ene-1,2-diamine (PubChem CID 177338180) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2-N-(3-ethyl-5-methylheptan-4-yl)-2-N-methylprop-2-ene-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-ethyl-5-methylheptan-4-yl)-2-N-methylprop-2-ene-1,2-diamine
PubChem CID177338180
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2-N-(3-ethyl-5-methylheptan-4-yl)-2-N-methylprop-2-ene-1,2-diamine
SMILESC=C(CN)N(C)C(C(C)CC)C(CC)CC
InChIInChI=1S/C14H30N2/c1-7-11(4)14(13(8-2)9-3)16(6)12(5)10-15/h11,13-14H,5,7-10,15H2,1-4,6H3
InChIKeyJWEFXEQSXKZDMB-UHFFFAOYSA-N
XLogP3.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N,N,3,4-tetramethylhex-1-en-2-amine
CID 142994233
(4R)-3-ethyl-4-methylhexane
CID 59954491
(3S)-N,2,4-trimethyl-N-propan-2-ylhexan-3-amine
CID 59252899
5-ethyl-2,4-dimethylhept-1-ene
CID 90728218
2-N-methyl-2-N-(3-methylbutyl)prop-2-ene-1,2-diamine
CID 134572260
4-[(2-aminoacetyl)-methylamino]-3-methoxy-5-methylheptanoic acid
CID 145301841
3-ethyl-4-methylhexan-1-amine
CID 123538643
3-ethylpentan-2-yloxymethanamine
CID 23136758
N-(4-ethylhexan-3-yl)-N,2-dimethylpropanamide
CID 142091600
1-N'-butan-2-yl-1-N,1-N'-dimethyl-1-N-propan-2-ylethene-1,1-diamine
CID 170109208
3-ethyl-N,N,4-trimethylpent-1-en-2-amine
CID 139427146
(2R)-2-amino-4-methylhexan-3-ol
CID 164643928

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-ethyl-5-methylheptan-4-yl)-2-N-methylprop-2-ene-1,2-diamine?
The IUPAC name of 2-N-(3-ethyl-5-methylheptan-4-yl)-2-N-methylprop-2-ene-1,2-diamine (CID 177338180) is 2-N-(3-ethyl-5-methylheptan-4-yl)-2-N-methylprop-2-ene-1,2-diamine.
What is the SMILES notation for 2-N-(3-ethyl-5-methylheptan-4-yl)-2-N-methylprop-2-ene-1,2-diamine?
The canonical SMILES for 2-N-(3-ethyl-5-methylheptan-4-yl)-2-N-methylprop-2-ene-1,2-diamine is C=C(CN)N(C)C(C(C)CC)C(CC)CC.
What is the InChIKey of 2-N-(3-ethyl-5-methylheptan-4-yl)-2-N-methylprop-2-ene-1,2-diamine?
The InChIKey is JWEFXEQSXKZDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-7-11(4)14(13(8-2)9-3)16(6)12(5)10-15/h11,13-14H,5,7-10,15H2,1-4,6H3.
What are the key properties of 2-N-(3-ethyl-5-methylheptan-4-yl)-2-N-methylprop-2-ene-1,2-diamine?
2-N-(3-ethyl-5-methylheptan-4-yl)-2-N-methylprop-2-ene-1,2-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-ethyl-5-methylheptan-4-yl)-2-N-methylprop-2-ene-1,2-diamine is sourced from PubChem (CID 177338180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).