N-(1-phenylethyl)-1-prop-2-enylcyclooctan-1-amine

C19H29N — CID 3844507

IUPACN-(1-phenylethyl)-1-prop-2-enylcyclooctan-1-amine
SMILESC=CCC1(NC(C)c2ccccc2)CCCCCCC1
InChIInChI=1S/C19H29N/c1-3-14-19(15-10-5-4-6-11-16-19)20-17(2)18-12-8-7-9-13-18/h3,7-9,12-13,17,20H,1,4-6,10-11,14-16H2,2H3
InChIKeyGJZMBLUKJQBDML-UHFFFAOYSA-N
MW271.45 g/mol
LogP5.40
Rot. Bonds5

About N-(1-phenylethyl)-1-prop-2-enylcyclooctan-1-amine

N-(1-phenylethyl)-1-prop-2-enylcyclooctan-1-amine (PubChem CID 3844507) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is N-(1-phenylethyl)-1-prop-2-enylcyclooctan-1-amine.

Molecular Properties

Compound NameN-(1-phenylethyl)-1-prop-2-enylcyclooctan-1-amine
PubChem CID3844507
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC NameN-(1-phenylethyl)-1-prop-2-enylcyclooctan-1-amine
SMILESC=CCC1(NC(C)c2ccccc2)CCCCCCC1
InChIInChI=1S/C19H29N/c1-3-14-19(15-10-5-4-6-11-16-19)20-17(2)18-12-8-7-9-13-18/h3,7-9,12-13,17,20H,1,4-6,10-11,14-16H2,2H3
InChIKeyGJZMBLUKJQBDML-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.45
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-phenylethyl]-1-prop-2-enylcyclooctan-1-amine
CID 1388970
2-methyl-1-[[1-(1-phenylethylamino)cyclopentyl]methyl]-3-prop-2-enylguanidine;hydroiodide
CID 111779427
N-(1-prop-2-enylcyclohexyl)aniline
CID 599883
1-(aminomethyl)-N-(1-phenylethyl)cyclopropan-1-amine
CID 106661264
N-[[1-[[(1S)-1-phenylethyl]amino]cyclopentyl]methyl]methanesulfonamide
CID 95331020
[(1R)-1-[[1-[(dimethylsulfamoylamino)methyl]cyclopentyl]amino]ethyl]benzene
CID 95323120
4-amino-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]butanamide
CID 119884570
N-(2-phenylethyl)-1-prop-2-enylcyclooctan-1-amine
CID 101017768
1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]urea
CID 111438810
1,1,3,3-tetramethyl-2-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine;hydroiodide
CID 111808861
2-methyl-1-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-3-prop-2-enylguanidine
CID 111826452
4-(aminomethyl)-N-[(1S)-1-phenylethyl]oxan-4-amine
CID 95241594

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-1-prop-2-enylcyclooctan-1-amine?
The IUPAC name of N-(1-phenylethyl)-1-prop-2-enylcyclooctan-1-amine (CID 3844507) is N-(1-phenylethyl)-1-prop-2-enylcyclooctan-1-amine.
What is the SMILES notation for N-(1-phenylethyl)-1-prop-2-enylcyclooctan-1-amine?
The canonical SMILES for N-(1-phenylethyl)-1-prop-2-enylcyclooctan-1-amine is C=CCC1(NC(C)c2ccccc2)CCCCCCC1.
What is the InChIKey of N-(1-phenylethyl)-1-prop-2-enylcyclooctan-1-amine?
The InChIKey is GJZMBLUKJQBDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-3-14-19(15-10-5-4-6-11-16-19)20-17(2)18-12-8-7-9-13-18/h3,7-9,12-13,17,20H,1,4-6,10-11,14-16H2,2H3.
What are the key properties of N-(1-phenylethyl)-1-prop-2-enylcyclooctan-1-amine?
N-(1-phenylethyl)-1-prop-2-enylcyclooctan-1-amine has a molecular weight of 271.45 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-1-prop-2-enylcyclooctan-1-amine is sourced from PubChem (CID 3844507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).