N-(3-cycloheptylprop-2-enyl)-2-methylpropan-1-amine

C14H27N — CID 79348190

IUPACN-(3-cycloheptylprop-2-enyl)-2-methylpropan-1-amine
SMILESCC(C)CNCC=CC1CCCCCC1
InChIInChI=1S/C14H27N/c1-13(2)12-15-11-7-10-14-8-5-3-4-6-9-14/h7,10,13-15H,3-6,8-9,11-12H2,1-2H3
InChIKeyBMFPRWMKLMVMSP-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.76
Rot. Bonds5

About N-(3-cycloheptylprop-2-enyl)-2-methylpropan-1-amine

N-(3-cycloheptylprop-2-enyl)-2-methylpropan-1-amine (PubChem CID 79348190) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-(3-cycloheptylprop-2-enyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(3-cycloheptylprop-2-enyl)-2-methylpropan-1-amine
PubChem CID79348190
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-(3-cycloheptylprop-2-enyl)-2-methylpropan-1-amine
SMILESCC(C)CNCC=CC1CCCCCC1
InChIInChI=1S/C14H27N/c1-13(2)12-15-11-7-10-14-8-5-3-4-6-9-14/h7,10,13-15H,3-6,8-9,11-12H2,1-2H3
InChIKeyBMFPRWMKLMVMSP-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-cyclohexyl-N-propan-2-ylprop-2-en-1-amine
CID 79348258
[(E)-but-1-enyl]cyclodecane
CID 173272598
(E)-3-cyclohexyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine
CID 73334860
(E)-4-cycloheptylbut-3-en-2-amine
CID 103091494
[(E)-3-methylbut-1-enyl]cyclobutane
CID 171745046
3-cyclohexyl-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 81015222
3-cyclohexylprop-2-ene-1-thiol
CID 54572501
[(E)-3-[(E)-4-cyclohexylbut-3-en-2-yl]oxybut-1-enyl]cyclohexane
CID 11130051
2-cyclohexylethenylcyclohexane
CID 4124459
(Z)-4-cyclopentylbut-3-enal
CID 117268117
2-(cyclohexylmethyl)-N-(2-methylpropyl)pentan-1-amine
CID 55196028
dimethyl 2-[(E)-3-cyclohexylprop-2-enyl]propanedioate
CID 102464212

Frequently Asked Questions

What is the IUPAC name of N-(3-cycloheptylprop-2-enyl)-2-methylpropan-1-amine?
The IUPAC name of N-(3-cycloheptylprop-2-enyl)-2-methylpropan-1-amine (CID 79348190) is N-(3-cycloheptylprop-2-enyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-(3-cycloheptylprop-2-enyl)-2-methylpropan-1-amine?
The canonical SMILES for N-(3-cycloheptylprop-2-enyl)-2-methylpropan-1-amine is CC(C)CNCC=CC1CCCCCC1.
What is the InChIKey of N-(3-cycloheptylprop-2-enyl)-2-methylpropan-1-amine?
The InChIKey is BMFPRWMKLMVMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-13(2)12-15-11-7-10-14-8-5-3-4-6-9-14/h7,10,13-15H,3-6,8-9,11-12H2,1-2H3.
What are the key properties of N-(3-cycloheptylprop-2-enyl)-2-methylpropan-1-amine?
N-(3-cycloheptylprop-2-enyl)-2-methylpropan-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cycloheptylprop-2-enyl)-2-methylpropan-1-amine is sourced from PubChem (CID 79348190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).