(Z)-N'-ethyl-2-methyl-N-pentylprop-1-ene-1,3-diamine

C11H24N2 — CID 166834532

IUPAC(Z)-N'-ethyl-2-methyl-N-pentylprop-1-ene-1,3-diamine
SMILESCCCCCN/C=C(/C)CNCC
InChIInChI=1S/C11H24N2/c1-4-6-7-8-13-10-11(3)9-12-5-2/h10,12-13H,4-9H2,1-3H3/b11-10-
InChIKeyLJUWLRLBAQJGQU-KHPPLWFESA-N
MW184.33 g/mol
LogP2.28
Rot. Bonds8

About (Z)-N'-ethyl-2-methyl-N-pentylprop-1-ene-1,3-diamine

(Z)-N'-ethyl-2-methyl-N-pentylprop-1-ene-1,3-diamine (PubChem CID 166834532) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is (Z)-N'-ethyl-2-methyl-N-pentylprop-1-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-N'-ethyl-2-methyl-N-pentylprop-1-ene-1,3-diamine
PubChem CID166834532
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name(Z)-N'-ethyl-2-methyl-N-pentylprop-1-ene-1,3-diamine
SMILESCCCCCN/C=C(/C)CNCC
InChIInChI=1S/C11H24N2/c1-4-6-7-8-13-10-11(3)9-12-5-2/h10,12-13H,4-9H2,1-3H3/b11-10-
InChIKeyLJUWLRLBAQJGQU-KHPPLWFESA-N
XLogP2.28
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 52.28
H-Bond Donors ≤ 52
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-methylprop-1-enyl)dodecan-1-amine
CID 88695938
N-(2-methylprop-1-enyl)dodecan-1-amine;hydrochloride
CID 173417762
(E)-N-butyl-2-methylbut-1-en-1-amine;hydrochloride
CID 155225855
N-[(E)-2-methylbut-2-enyl]pentan-1-amine;hydrochloride
CID 155225919
(E)-3-(hexylamino)-2-methylprop-2-enoic acid
CID 87504773
ethane;N-pentylformamide
CID 145350301
N-tetracosylformamide
CID 54077607
N-pentacosylformamide
CID 88723962
N-butyl-2-methylbut-2-en-1-amine
CID 76568540
ethane;N-ethylhexan-1-amine
CID 143229911
N-ethyltetradecan-1-amine;hydrochloride
CID 174740266
(Z)-N-ethyl-N',2-dimethylprop-1-ene-1,3-diamine
CID 163865379

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-ethyl-2-methyl-N-pentylprop-1-ene-1,3-diamine?
The IUPAC name of (Z)-N'-ethyl-2-methyl-N-pentylprop-1-ene-1,3-diamine (CID 166834532) is (Z)-N'-ethyl-2-methyl-N-pentylprop-1-ene-1,3-diamine.
What is the SMILES notation for (Z)-N'-ethyl-2-methyl-N-pentylprop-1-ene-1,3-diamine?
The canonical SMILES for (Z)-N'-ethyl-2-methyl-N-pentylprop-1-ene-1,3-diamine is CCCCCN/C=C(/C)CNCC.
What is the InChIKey of (Z)-N'-ethyl-2-methyl-N-pentylprop-1-ene-1,3-diamine?
The InChIKey is LJUWLRLBAQJGQU-KHPPLWFESA-N. The full InChI is InChI=1S/C11H24N2/c1-4-6-7-8-13-10-11(3)9-12-5-2/h10,12-13H,4-9H2,1-3H3/b11-10-.
What are the key properties of (Z)-N'-ethyl-2-methyl-N-pentylprop-1-ene-1,3-diamine?
(Z)-N'-ethyl-2-methyl-N-pentylprop-1-ene-1,3-diamine has a molecular weight of 184.33 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-ethyl-2-methyl-N-pentylprop-1-ene-1,3-diamine is sourced from PubChem (CID 166834532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).