1-(cycloocten-1-yl)-2-methyl-2-piperidin-1-ylbutan-1-amine

C18H34N2 — CID 106653620

IUPAC1-(cycloocten-1-yl)-2-methyl-2-piperidin-1-ylbutan-1-amine
SMILESCCC(C)(C(N)C1=CCCCCCC1)N1CCCCC1
InChIInChI=1S/C18H34N2/c1-3-18(2,20-14-10-7-11-15-20)17(19)16-12-8-5-4-6-9-13-16/h12,17H,3-11,13-15,19H2,1-2H3
InChIKeyUVKPNRSLEMACJQ-UHFFFAOYSA-N
MW278.48 g/mol
LogP4.25
Rot. Bonds4

About 1-(cycloocten-1-yl)-2-methyl-2-piperidin-1-ylbutan-1-amine

1-(cycloocten-1-yl)-2-methyl-2-piperidin-1-ylbutan-1-amine (PubChem CID 106653620) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 1-(cycloocten-1-yl)-2-methyl-2-piperidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name1-(cycloocten-1-yl)-2-methyl-2-piperidin-1-ylbutan-1-amine
PubChem CID106653620
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name1-(cycloocten-1-yl)-2-methyl-2-piperidin-1-ylbutan-1-amine
SMILESCCC(C)(C(N)C1=CCCCCCC1)N1CCCCC1
InChIInChI=1S/C18H34N2/c1-3-18(2,20-14-10-7-11-15-20)17(19)16-12-8-5-4-6-9-13-16/h12,17H,3-11,13-15,19H2,1-2H3
InChIKeyUVKPNRSLEMACJQ-UHFFFAOYSA-N
XLogP4.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 54.25
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

1-(cyclohepten-1-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 106653614
1-(cyclohexen-1-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 106653615
1-(cyclohepten-1-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine
CID 106653542
2-methyl-2-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-amine
CID 79060271
1-(3,5-dimethylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 79065290
1-(cyclohepten-1-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 106653532
1-(cyclohepten-1-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine
CID 106653570
1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 106645806
2,2,4-trimethyl-4-piperidin-1-ylhexan-3-amine
CID 79064997
2-methyl-2-pyrrolidin-1-yl-1-(2,3,4-trifluorophenyl)butan-1-amine
CID 79068641
1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 79705436
1-(2,5-difluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 79065070

Frequently Asked Questions

What is the IUPAC name of 1-(cycloocten-1-yl)-2-methyl-2-piperidin-1-ylbutan-1-amine?
The IUPAC name of 1-(cycloocten-1-yl)-2-methyl-2-piperidin-1-ylbutan-1-amine (CID 106653620) is 1-(cycloocten-1-yl)-2-methyl-2-piperidin-1-ylbutan-1-amine.
What is the SMILES notation for 1-(cycloocten-1-yl)-2-methyl-2-piperidin-1-ylbutan-1-amine?
The canonical SMILES for 1-(cycloocten-1-yl)-2-methyl-2-piperidin-1-ylbutan-1-amine is CCC(C)(C(N)C1=CCCCCCC1)N1CCCCC1.
What is the InChIKey of 1-(cycloocten-1-yl)-2-methyl-2-piperidin-1-ylbutan-1-amine?
The InChIKey is UVKPNRSLEMACJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-3-18(2,20-14-10-7-11-15-20)17(19)16-12-8-5-4-6-9-13-16/h12,17H,3-11,13-15,19H2,1-2H3.
What are the key properties of 1-(cycloocten-1-yl)-2-methyl-2-piperidin-1-ylbutan-1-amine?
1-(cycloocten-1-yl)-2-methyl-2-piperidin-1-ylbutan-1-amine has a molecular weight of 278.48 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloocten-1-yl)-2-methyl-2-piperidin-1-ylbutan-1-amine is sourced from PubChem (CID 106653620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).