1,3,3,5,5-pentamethyl-N-prop-2-enylcyclohexan-1-amine

C14H27N — CID 10192663

IUPAC1,3,3,5,5-pentamethyl-N-prop-2-enylcyclohexan-1-amine
SMILESC=CCNC1(C)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C14H27N/c1-7-8-15-14(6)10-12(2,3)9-13(4,5)11-14/h7,15H,1,8-11H2,2-6H3
InChIKeyWDLSFCDGHLZMFT-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.76
Rot. Bonds3

About 1,3,3,5,5-pentamethyl-N-prop-2-enylcyclohexan-1-amine

1,3,3,5,5-pentamethyl-N-prop-2-enylcyclohexan-1-amine (PubChem CID 10192663) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 1,3,3,5,5-pentamethyl-N-prop-2-enylcyclohexan-1-amine.

Molecular Properties

Compound Name1,3,3,5,5-pentamethyl-N-prop-2-enylcyclohexan-1-amine
PubChem CID10192663
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name1,3,3,5,5-pentamethyl-N-prop-2-enylcyclohexan-1-amine
SMILESC=CCNC1(C)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C14H27N/c1-7-8-15-14(6)10-12(2,3)9-13(4,5)11-14/h7,15H,1,8-11H2,2-6H3
InChIKeyWDLSFCDGHLZMFT-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1,3,3,5,5-pentamethyl-N-prop-2-enylcyclohexan-1-amine?
The IUPAC name of 1,3,3,5,5-pentamethyl-N-prop-2-enylcyclohexan-1-amine (CID 10192663) is 1,3,3,5,5-pentamethyl-N-prop-2-enylcyclohexan-1-amine.
What is the SMILES notation for 1,3,3,5,5-pentamethyl-N-prop-2-enylcyclohexan-1-amine?
The canonical SMILES for 1,3,3,5,5-pentamethyl-N-prop-2-enylcyclohexan-1-amine is C=CCNC1(C)CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 1,3,3,5,5-pentamethyl-N-prop-2-enylcyclohexan-1-amine?
The InChIKey is WDLSFCDGHLZMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-7-8-15-14(6)10-12(2,3)9-13(4,5)11-14/h7,15H,1,8-11H2,2-6H3.
What are the key properties of 1,3,3,5,5-pentamethyl-N-prop-2-enylcyclohexan-1-amine?
1,3,3,5,5-pentamethyl-N-prop-2-enylcyclohexan-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,5,5-pentamethyl-N-prop-2-enylcyclohexan-1-amine is sourced from PubChem (CID 10192663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).