N,N-diethyl-2-(1-phenylcycloheptyl)prop-2-en-1-amine

C20H31N — CID 130330510

IUPACN,N-diethyl-2-(1-phenylcycloheptyl)prop-2-en-1-amine
SMILESC=C(CN(CC)CC)C1(c2ccccc2)CCCCCC1
InChIInChI=1S/C20H31N/c1-4-21(5-2)17-18(3)20(15-11-6-7-12-16-20)19-13-9-8-10-14-19/h8-10,13-14H,3-7,11-12,15-17H2,1-2H3
InChIKeyDRRKKIXIYBXNKW-UHFFFAOYSA-N
MW285.48 g/mol
LogP5.18
Rot. Bonds6

About N,N-diethyl-2-(1-phenylcycloheptyl)prop-2-en-1-amine

N,N-diethyl-2-(1-phenylcycloheptyl)prop-2-en-1-amine (PubChem CID 130330510) has the molecular formula C20H31N and a molecular weight of 285.48 g/mol. Its IUPAC name is N,N-diethyl-2-(1-phenylcycloheptyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN,N-diethyl-2-(1-phenylcycloheptyl)prop-2-en-1-amine
PubChem CID130330510
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC NameN,N-diethyl-2-(1-phenylcycloheptyl)prop-2-en-1-amine
SMILESC=C(CN(CC)CC)C1(c2ccccc2)CCCCCC1
InChIInChI=1S/C20H31N/c1-4-21(5-2)17-18(3)20(15-11-6-7-12-16-20)19-13-9-8-10-14-19/h8-10,13-14H,3-7,11-12,15-17H2,1-2H3
InChIKeyDRRKKIXIYBXNKW-UHFFFAOYSA-N
XLogP5.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.48
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(diethylamino)-1-(1-phenylcyclobutyl)ethanone
CID 130330381
(1-hexa-1,5-dien-2-ylcyclohexyl)benzene
CID 143134347
1-[2-(1-phenylcyclopentyl)prop-2-enyl]piperidine
CID 130330382
1-(1-phenylcyclopentyl)propan-1-one
CID 63080096
2-(diethylamino)ethyl 1-phenylcyclobutane-1-carboxylate
CID 23295003
4-methyl-1-(1-phenylcyclopentyl)pent-4-en-1-one
CID 114473546
(3Z,5E)-5-(1-phenylcyclohexyl)hepta-1,3,5-trien-2-ol
CID 143461732
1-[4-(diethylamino)phenyl]cyclohexane-1-carboxylic acid
CID 117440769
2-(diethylamino)ethyl 1-phenylcyclopentane-1-carboxylate;methyl acetate;hydrochloride
CID 67678429
N,N-diethyl-1-phenylcyclobutane-1-carboximidamide
CID 63179800
(4-ethylphenyl)-(1-phenylcyclopentyl)methanone
CID 63410201
N-ethyl-N,1-diphenylcyclobutane-1-carboxamide
CID 69093061

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(1-phenylcycloheptyl)prop-2-en-1-amine?
The IUPAC name of N,N-diethyl-2-(1-phenylcycloheptyl)prop-2-en-1-amine (CID 130330510) is N,N-diethyl-2-(1-phenylcycloheptyl)prop-2-en-1-amine.
What is the SMILES notation for N,N-diethyl-2-(1-phenylcycloheptyl)prop-2-en-1-amine?
The canonical SMILES for N,N-diethyl-2-(1-phenylcycloheptyl)prop-2-en-1-amine is C=C(CN(CC)CC)C1(c2ccccc2)CCCCCC1.
What is the InChIKey of N,N-diethyl-2-(1-phenylcycloheptyl)prop-2-en-1-amine?
The InChIKey is DRRKKIXIYBXNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-4-21(5-2)17-18(3)20(15-11-6-7-12-16-20)19-13-9-8-10-14-19/h8-10,13-14H,3-7,11-12,15-17H2,1-2H3.
What are the key properties of N,N-diethyl-2-(1-phenylcycloheptyl)prop-2-en-1-amine?
N,N-diethyl-2-(1-phenylcycloheptyl)prop-2-en-1-amine has a molecular weight of 285.48 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(1-phenylcycloheptyl)prop-2-en-1-amine is sourced from PubChem (CID 130330510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).