(Z)-1-[amino-[(2-methylcyclohex-2-en-1-yl)methyl]amino]-4-methylpent-1-en-2-amine

C14H27N3 — CID 167250987

IUPAC(Z)-1-[amino-[(2-methylcyclohex-2-en-1-yl)methyl]amino]-4-methylpent-1-en-2-amine
SMILESCC1=CCCCC1CN(N)/C=C(\N)CC(C)C
InChIInChI=1S/C14H27N3/c1-11(2)8-14(15)10-17(16)9-13-7-5-4-6-12(13)3/h6,10-11,13H,4-5,7-9,15-16H2,1-3H3/b14-10-
InChIKeyOIPHJDBPFVHEGF-UVTDQMKNSA-N
MW237.39 g/mol
LogP2.75
Rot. Bonds5

About (Z)-1-[amino-[(2-methylcyclohex-2-en-1-yl)methyl]amino]-4-methylpent-1-en-2-amine

(Z)-1-[amino-[(2-methylcyclohex-2-en-1-yl)methyl]amino]-4-methylpent-1-en-2-amine (PubChem CID 167250987) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is (Z)-1-[amino-[(2-methylcyclohex-2-en-1-yl)methyl]amino]-4-methylpent-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-[amino-[(2-methylcyclohex-2-en-1-yl)methyl]amino]-4-methylpent-1-en-2-amine
PubChem CID167250987
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name(Z)-1-[amino-[(2-methylcyclohex-2-en-1-yl)methyl]amino]-4-methylpent-1-en-2-amine
SMILESCC1=CCCCC1CN(N)/C=C(\N)CC(C)C
InChIInChI=1S/C14H27N3/c1-11(2)8-14(15)10-17(16)9-13-7-5-4-6-12(13)3/h6,10-11,13H,4-5,7-9,15-16H2,1-3H3/b14-10-
InChIKeyOIPHJDBPFVHEGF-UVTDQMKNSA-N
XLogP2.75
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,1-Dimethyl-2-(3-methylcyclohexen-1-yl)hydrazine
CID 91434113
1-Methyl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)hydrazine
CID 142964482
1-(4,6-Dimethylcyclohex-3-en-1-yl)-1-methylhydrazine
CID 142964483
N-(5-methylcyclohexen-1-yl)piperidin-1-amine
CID 144257329
(1E,7E)-4-ethenyl-6-ethyl-2-[methyl(methylamino)amino]deca-1,7-dien-1-amine
CID 155129977
(Z)-1-[amino-(3-methylcyclohexyl)amino]pent-1-en-2-amine
CID 156218887
(Z)-2-[amino(ethyl)amino]-1-cyclohexylethenamine
CID 157035467
(6R)-3-[amino(propyl)amino]-6-methylcyclohept-2-en-1-amine
CID 166650376
(Z)-2-[amino(methyl)amino]-1-cyclohexylethenamine
CID 166816484
2-[Amino(2-methylpropyl)amino]-5-methylcyclohex-2-en-1-amine
CID 166836316
(Z)-2-[amino(2-cyclobutylideneethyl)amino]-1-cyclopentylethenamine
CID 166913733
(Z)-1-[amino-[(Z,3Z)-2-ethyl-3-ethylidenehex-4-enyl]amino]but-1-en-2-amine
CID 169890385

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[amino-[(2-methylcyclohex-2-en-1-yl)methyl]amino]-4-methylpent-1-en-2-amine?
The IUPAC name of (Z)-1-[amino-[(2-methylcyclohex-2-en-1-yl)methyl]amino]-4-methylpent-1-en-2-amine (CID 167250987) is (Z)-1-[amino-[(2-methylcyclohex-2-en-1-yl)methyl]amino]-4-methylpent-1-en-2-amine.
What is the SMILES notation for (Z)-1-[amino-[(2-methylcyclohex-2-en-1-yl)methyl]amino]-4-methylpent-1-en-2-amine?
The canonical SMILES for (Z)-1-[amino-[(2-methylcyclohex-2-en-1-yl)methyl]amino]-4-methylpent-1-en-2-amine is CC1=CCCCC1CN(N)/C=C(\N)CC(C)C.
What is the InChIKey of (Z)-1-[amino-[(2-methylcyclohex-2-en-1-yl)methyl]amino]-4-methylpent-1-en-2-amine?
The InChIKey is OIPHJDBPFVHEGF-UVTDQMKNSA-N. The full InChI is InChI=1S/C14H27N3/c1-11(2)8-14(15)10-17(16)9-13-7-5-4-6-12(13)3/h6,10-11,13H,4-5,7-9,15-16H2,1-3H3/b14-10-.
What are the key properties of (Z)-1-[amino-[(2-methylcyclohex-2-en-1-yl)methyl]amino]-4-methylpent-1-en-2-amine?
(Z)-1-[amino-[(2-methylcyclohex-2-en-1-yl)methyl]amino]-4-methylpent-1-en-2-amine has a molecular weight of 237.39 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[amino-[(2-methylcyclohex-2-en-1-yl)methyl]amino]-4-methylpent-1-en-2-amine is sourced from PubChem (CID 167250987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).