(Z)-1-N,3-dimethyl-1-N'-(3-methylpentyl)-1-N'-propylhex-2-ene-1,1-diamine

C17H36N2 — CID 176921676

IUPAC(Z)-1-N,3-dimethyl-1-N'-(3-methylpentyl)-1-N'-propylhex-2-ene-1,1-diamine
SMILESCCC/C(C)=C\C(NC)N(CCC)CCC(C)CC
InChIInChI=1S/C17H36N2/c1-7-10-16(5)14-17(18-6)19(12-8-2)13-11-15(4)9-3/h14-15,17-18H,7-13H2,1-6H3/b16-14-
InChIKeyRNJSCSHFSUGYQV-PEZBUJJGSA-N
MW268.49 g/mol
LogP4.43
Rot. Bonds11

About (Z)-1-N,3-dimethyl-1-N'-(3-methylpentyl)-1-N'-propylhex-2-ene-1,1-diamine

(Z)-1-N,3-dimethyl-1-N'-(3-methylpentyl)-1-N'-propylhex-2-ene-1,1-diamine (PubChem CID 176921676) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is (Z)-1-N,3-dimethyl-1-N'-(3-methylpentyl)-1-N'-propylhex-2-ene-1,1-diamine.

Molecular Properties

Compound Name(Z)-1-N,3-dimethyl-1-N'-(3-methylpentyl)-1-N'-propylhex-2-ene-1,1-diamine
PubChem CID176921676
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name(Z)-1-N,3-dimethyl-1-N'-(3-methylpentyl)-1-N'-propylhex-2-ene-1,1-diamine
SMILESCCC/C(C)=C\C(NC)N(CCC)CCC(C)CC
InChIInChI=1S/C17H36N2/c1-7-10-16(5)14-17(18-6)19(12-8-2)13-11-15(4)9-3/h14-15,17-18H,7-13H2,1-6H3/b16-14-
InChIKeyRNJSCSHFSUGYQV-PEZBUJJGSA-N
XLogP4.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3,7,11-Trimethyl-dodeca-2,6,10-trienyl)-(2,6,10-trimethyl-undeca-5,9-dienyl)-amine
CID 10431909
(Z)-4-fluoro-N-methyl-1-[3-methyl-4-[(Z)-2-methylpent-3-enyl]-2,5-dihydropyrrol-1-yl]pent-2-en-1-amine
CID 167084224
1-N'-butan-2-yl-5-but-2-en-2-yl-1-N,6-dimethylocta-3,6-diene-1,1,8-triamine
CID 123832821
5-butan-2-yl-N,3-dimethyl-1,2,3,6-tetrahydropyridin-6-amine
CID 123905526
N'-[(Z)-2-[(E)-but-2-en-2-yl]-5,7-dimethyl-4-methylidenenon-7-enyl]-N-methylmethanediamine
CID 126514847
N',N'-dimethyl-N-[(6R)-2,5,6-trimethylnon-4-en-3-yl]methanediamine
CID 129302701
N-[3-[(1Z)-cycloocten-1-yl]-2-methylpropyl]-N'-[[(1Z)-cycloundecen-1-yl]methyl]-N'-(methylaminomethyl)hexane-1,6-diamine
CID 134189294
(2S)-1-N-[(3E,5Z,9Z)-2-hex-5-en-2-yl-4,8-dimethyldodeca-3,5,9-trienyl]-1-N',1-N',5-N,2-tetramethylpentane-1,1,5-triamine
CID 134270335
N'-ethyl-N-(3-ethyl-4-methylpentyl)-N'-[(Z)-hept-5-enyl]methanediamine
CID 134423593
1-N-(2-methylbutyl)-1-N'-[(E)-3-methylhept-3-en-2-yl]prop-2-ene-1,1-diamine
CID 138495117
1-N'-ethyl-3,7-dimethyl-1-N'-prop-2-enyloct-6-ene-1,1-diamine
CID 138519658
N-ethyl-N'-(5-ethyl-2-methylhept-3-enyl)-N'-methylmethanediamine
CID 139491783

Frequently Asked Questions

What is the IUPAC name of (Z)-1-N,3-dimethyl-1-N'-(3-methylpentyl)-1-N'-propylhex-2-ene-1,1-diamine?
The IUPAC name of (Z)-1-N,3-dimethyl-1-N'-(3-methylpentyl)-1-N'-propylhex-2-ene-1,1-diamine (CID 176921676) is (Z)-1-N,3-dimethyl-1-N'-(3-methylpentyl)-1-N'-propylhex-2-ene-1,1-diamine.
What is the SMILES notation for (Z)-1-N,3-dimethyl-1-N'-(3-methylpentyl)-1-N'-propylhex-2-ene-1,1-diamine?
The canonical SMILES for (Z)-1-N,3-dimethyl-1-N'-(3-methylpentyl)-1-N'-propylhex-2-ene-1,1-diamine is CCC/C(C)=C\C(NC)N(CCC)CCC(C)CC.
What is the InChIKey of (Z)-1-N,3-dimethyl-1-N'-(3-methylpentyl)-1-N'-propylhex-2-ene-1,1-diamine?
The InChIKey is RNJSCSHFSUGYQV-PEZBUJJGSA-N. The full InChI is InChI=1S/C17H36N2/c1-7-10-16(5)14-17(18-6)19(12-8-2)13-11-15(4)9-3/h14-15,17-18H,7-13H2,1-6H3/b16-14-.
What are the key properties of (Z)-1-N,3-dimethyl-1-N'-(3-methylpentyl)-1-N'-propylhex-2-ene-1,1-diamine?
(Z)-1-N,3-dimethyl-1-N'-(3-methylpentyl)-1-N'-propylhex-2-ene-1,1-diamine has a molecular weight of 268.49 g/mol, XLogP of 4.43, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N,3-dimethyl-1-N'-(3-methylpentyl)-1-N'-propylhex-2-ene-1,1-diamine is sourced from PubChem (CID 176921676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).