1-(cyclohepten-1-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylbutan-1-amine

C18H34N2 — CID 106653614

IUPAC1-(cyclohepten-1-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCNC(C1=CCCCCC1)C(C)(CC)N1CCCC1
InChIInChI=1S/C18H34N2/c1-4-18(3,20-14-10-11-15-20)17(19-5-2)16-12-8-6-7-9-13-16/h12,17,19H,4-11,13-15H2,1-3H3
InChIKeyZCHZXCWLTAZWCK-UHFFFAOYSA-N
MW278.48 g/mol
LogP4.12
Rot. Bonds6

About 1-(cyclohepten-1-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylbutan-1-amine

1-(cyclohepten-1-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylbutan-1-amine (PubChem CID 106653614) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
PubChem CID106653614
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name1-(cyclohepten-1-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCNC(C1=CCCCCC1)C(C)(CC)N1CCCC1
InChIInChI=1S/C18H34N2/c1-4-18(3,20-14-10-11-15-20)17(19-5-2)16-12-8-6-7-9-13-16/h12,17,19H,4-11,13-15H2,1-3H3
InChIKeyZCHZXCWLTAZWCK-UHFFFAOYSA-N
XLogP4.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 54.12
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-(cyclohexen-1-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 106653615
1-(cycloocten-1-yl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 106653620
1-(cyclohexen-1-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 62680127
1-(cyclohepten-1-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine
CID 106653570
1-(cyclohexen-1-yl)-N-ethyl-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 106653578
1-(cycloocten-1-yl)-N,2-diethyl-2-methoxybutan-1-amine
CID 106654576
1-(cyclohepten-1-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine
CID 79660803
N-ethyl-2-methyl-1-(3-methylphenyl)-2-piperidin-1-ylbutan-1-amine
CID 79060679
1-(4-bromothiophen-3-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79602860
N-ethyl-3-methyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79069202
1-(cyclohepten-1-yl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 106654542
1-(cycloocten-1-yl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 106654544

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of 1-(cyclohepten-1-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylbutan-1-amine (CID 106653614) is 1-(cyclohepten-1-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for 1-(cyclohepten-1-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylbutan-1-amine is CCNC(C1=CCCCCC1)C(C)(CC)N1CCCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is ZCHZXCWLTAZWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-4-18(3,20-14-10-11-15-20)17(19-5-2)16-12-8-6-7-9-13-16/h12,17,19H,4-11,13-15H2,1-3H3.
What are the key properties of 1-(cyclohepten-1-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylbutan-1-amine?
1-(cyclohepten-1-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 278.48 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 106653614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).