1-(1-amino-4-methylpent-4-enyl)-N,N,3-trimethylcyclohexan-1-amine

C15H30N2 — CID 114475288

IUPAC1-(1-amino-4-methylpent-4-enyl)-N,N,3-trimethylcyclohexan-1-amine
SMILESC=C(C)CCC(N)C1(N(C)C)CCCC(C)C1
InChIInChI=1S/C15H30N2/c1-12(2)8-9-14(16)15(17(4)5)10-6-7-13(3)11-15/h13-14H,1,6-11,16H2,2-5H3
InChIKeyKYOGBBIZFINQRP-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.18
Rot. Bonds5

About 1-(1-amino-4-methylpent-4-enyl)-N,N,3-trimethylcyclohexan-1-amine

1-(1-amino-4-methylpent-4-enyl)-N,N,3-trimethylcyclohexan-1-amine (PubChem CID 114475288) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-(1-amino-4-methylpent-4-enyl)-N,N,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(1-amino-4-methylpent-4-enyl)-N,N,3-trimethylcyclohexan-1-amine
PubChem CID114475288
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-(1-amino-4-methylpent-4-enyl)-N,N,3-trimethylcyclohexan-1-amine
SMILESC=C(C)CCC(N)C1(N(C)C)CCCC(C)C1
InChIInChI=1S/C15H30N2/c1-12(2)8-9-14(16)15(17(4)5)10-6-7-13(3)11-15/h13-14H,1,6-11,16H2,2-5H3
InChIKeyKYOGBBIZFINQRP-UHFFFAOYSA-N
XLogP3.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-4-methylpent-4-enyl)-N,N,3-trimethylcyclohexan-1-amine?
The IUPAC name of 1-(1-amino-4-methylpent-4-enyl)-N,N,3-trimethylcyclohexan-1-amine (CID 114475288) is 1-(1-amino-4-methylpent-4-enyl)-N,N,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(1-amino-4-methylpent-4-enyl)-N,N,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-(1-amino-4-methylpent-4-enyl)-N,N,3-trimethylcyclohexan-1-amine is C=C(C)CCC(N)C1(N(C)C)CCCC(C)C1.
What is the InChIKey of 1-(1-amino-4-methylpent-4-enyl)-N,N,3-trimethylcyclohexan-1-amine?
The InChIKey is KYOGBBIZFINQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-12(2)8-9-14(16)15(17(4)5)10-6-7-13(3)11-15/h13-14H,1,6-11,16H2,2-5H3.
What are the key properties of 1-(1-amino-4-methylpent-4-enyl)-N,N,3-trimethylcyclohexan-1-amine?
1-(1-amino-4-methylpent-4-enyl)-N,N,3-trimethylcyclohexan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-4-methylpent-4-enyl)-N,N,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 114475288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).