3,3,5,5-tetramethyl-N-pent-3-ynylcyclohexan-1-amine

C15H27N — CID 104807528

IUPAC3,3,5,5-tetramethyl-N-pent-3-ynylcyclohexan-1-amine
SMILESCC#CCCNC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C15H27N/c1-6-7-8-9-16-13-10-14(2,3)12-15(4,5)11-13/h13,16H,8-12H2,1-5H3
InChIKeyDMXOXMJPPPAWPV-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.59
Rot. Bonds3

About 3,3,5,5-tetramethyl-N-pent-3-ynylcyclohexan-1-amine

3,3,5,5-tetramethyl-N-pent-3-ynylcyclohexan-1-amine (PubChem CID 104807528) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-N-pent-3-ynylcyclohexan-1-amine.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-N-pent-3-ynylcyclohexan-1-amine
PubChem CID104807528
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name3,3,5,5-tetramethyl-N-pent-3-ynylcyclohexan-1-amine
SMILESCC#CCCNC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C15H27N/c1-6-7-8-9-16-13-10-14(2,3)12-15(4,5)11-13/h13,16H,8-12H2,1-5H3
InChIKeyDMXOXMJPPPAWPV-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-N-pent-3-ynylcyclohexan-1-amine?
The IUPAC name of 3,3,5,5-tetramethyl-N-pent-3-ynylcyclohexan-1-amine (CID 104807528) is 3,3,5,5-tetramethyl-N-pent-3-ynylcyclohexan-1-amine.
What is the SMILES notation for 3,3,5,5-tetramethyl-N-pent-3-ynylcyclohexan-1-amine?
The canonical SMILES for 3,3,5,5-tetramethyl-N-pent-3-ynylcyclohexan-1-amine is CC#CCCNC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 3,3,5,5-tetramethyl-N-pent-3-ynylcyclohexan-1-amine?
The InChIKey is DMXOXMJPPPAWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-6-7-8-9-16-13-10-14(2,3)12-15(4,5)11-13/h13,16H,8-12H2,1-5H3.
What are the key properties of 3,3,5,5-tetramethyl-N-pent-3-ynylcyclohexan-1-amine?
3,3,5,5-tetramethyl-N-pent-3-ynylcyclohexan-1-amine has a molecular weight of 221.39 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-N-pent-3-ynylcyclohexan-1-amine is sourced from PubChem (CID 104807528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).