N-[2-(furan-2-yl)ethyl]-4-propylcycloheptan-1-amine

C16H27NO — CID 65086403

IUPACN-[2-(furan-2-yl)ethyl]-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(NCCc2ccco2)CC1
InChIInChI=1S/C16H27NO/c1-2-5-14-6-3-7-15(10-9-14)17-12-11-16-8-4-13-18-16/h4,8,13-15,17H,2-3,5-7,9-12H2,1H3
InChIKeyMIQSLPYODQRVLY-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.16
Rot. Bonds6

About N-[2-(furan-2-yl)ethyl]-4-propylcycloheptan-1-amine

N-[2-(furan-2-yl)ethyl]-4-propylcycloheptan-1-amine (PubChem CID 65086403) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-4-propylcycloheptan-1-amine.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-4-propylcycloheptan-1-amine
PubChem CID65086403
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-[2-(furan-2-yl)ethyl]-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(NCCc2ccco2)CC1
InChIInChI=1S/C16H27NO/c1-2-5-14-6-3-7-15(10-9-14)17-12-11-16-8-4-13-18-16/h4,8,13-15,17H,2-3,5-7,9-12H2,1H3
InChIKeyMIQSLPYODQRVLY-UHFFFAOYSA-N
XLogP4.16
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(furan-2-yl)ethyl]-4-propylcycloheptan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(furan-2-yl)ethyl]-4-propylcyclohexan-1-amine
CID 43395506
N-[2-(furan-2-yl)ethyl]-4-methylcycloheptan-1-amine
CID 65080639
N-[3-(furan-2-ylmethoxy)propyl]-4-propylcycloheptan-1-amine
CID 65087332
3-N-[2-(furan-2-yl)ethyl]cyclopentane-1,3-diamine
CID 79462115
N-[3-(furan-2-yl)propyl]cycloheptanamine
CID 60984430
N-[2-(furan-2-yl)ethyl]-4-phenylcyclohexan-1-amine
CID 43395503
4-tert-butyl-N-(furan-2-ylmethyl)cycloheptan-1-amine
CID 65090187
N-[2-(furan-2-yl)ethyl]thian-3-amine
CID 62873615
N-(2-phenylsulfanylethyl)-4-propylcycloheptan-1-amine
CID 65091598
4-ethyl-N-[4-(furan-2-yl)butan-2-yl]cycloheptan-1-amine
CID 65082213
tert-butyl N-[3-[2-(furan-2-yl)ethylamino]cyclohexyl]carbamate
CID 103720087
3-[(4-propylcycloheptyl)amino]propanamide
CID 65086939

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-4-propylcycloheptan-1-amine?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-4-propylcycloheptan-1-amine (CID 65086403) is N-[2-(furan-2-yl)ethyl]-4-propylcycloheptan-1-amine.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-4-propylcycloheptan-1-amine?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-4-propylcycloheptan-1-amine is CCCC1CCCC(NCCc2ccco2)CC1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-4-propylcycloheptan-1-amine?
The InChIKey is MIQSLPYODQRVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-2-5-14-6-3-7-15(10-9-14)17-12-11-16-8-4-13-18-16/h4,8,13-15,17H,2-3,5-7,9-12H2,1H3.
What are the key properties of N-[2-(furan-2-yl)ethyl]-4-propylcycloheptan-1-amine?
N-[2-(furan-2-yl)ethyl]-4-propylcycloheptan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-4-propylcycloheptan-1-amine is sourced from PubChem (CID 65086403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).