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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Related Compounds

CID 91157465
CID 91157465
CID 91159090
CID 91159090
CID 130194927
CID 130194927
CID 137381493
CID 137381493
CID 139319896
CID 139319896
CID 139362552
CID 139362552
CID 144522346
CID 144522346
CID 156087730
CID 156087730
CID 166884589
CID 166884589
CID 169836611
CID 169836611
CID 169898733
CID 169898733
CID 64313282
CID 64313282

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).