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

C14H23NO — CID 65080639

IUPACN-[2-(furan-2-yl)ethyl]-4-methylcycloheptan-1-amine
SMILESCC1CCCC(NCCc2ccco2)CC1
InChIInChI=1S/C14H23NO/c1-12-4-2-5-13(8-7-12)15-10-9-14-6-3-11-16-14/h3,6,11-13,15H,2,4-5,7-10H2,1H3
InChIKeyOFNOOXKGEMFBRR-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.38
Rot. Bonds4

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

N-[2-(furan-2-yl)ethyl]-4-methylcycloheptan-1-amine (PubChem CID 65080639) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-4-methylcycloheptan-1-amine.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-4-methylcycloheptan-1-amine
PubChem CID65080639
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[2-(furan-2-yl)ethyl]-4-methylcycloheptan-1-amine
SMILESCC1CCCC(NCCc2ccco2)CC1
InChIInChI=1S/C14H23NO/c1-12-4-2-5-13(8-7-12)15-10-9-14-6-3-11-16-14/h3,6,11-13,15H,2,4-5,7-10H2,1H3
InChIKeyOFNOOXKGEMFBRR-UHFFFAOYSA-N
XLogP3.38
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(furan-2-yl)ethyl]-4-propylcycloheptan-1-amine
CID 65086403
N-[2-(furan-2-yl)ethyl]-4-propylcyclohexan-1-amine
CID 43395506
N-[3-(furan-2-yl)propyl]cycloheptanamine
CID 60984430
N-[2-(furan-2-yl)ethyl]-4-phenylcyclohexan-1-amine
CID 43395503
N-[1-(furan-2-yl)propan-2-yl]-4-methylcycloheptan-1-amine
CID 65081351
N-[2-(furan-2-yl)ethyl]thian-3-amine
CID 62873615
3-N-[2-(furan-2-yl)ethyl]cyclopentane-1,3-diamine
CID 79462115
N-[2-(furan-2-ylmethoxy)ethyl]-3-methylcyclohexan-1-amine
CID 62565180
N-[2-(4-fluorophenyl)ethyl]-4-methylcycloheptan-1-amine
CID 65080834
N-[2-(furan-2-yl)ethyl]-3-methoxycyclobutan-1-amine
CID 104870790
N-[2-(furan-2-yl)ethyl]-2-methylthian-3-amine
CID 79957454
tert-butyl N-[3-[2-(furan-2-yl)ethylamino]cyclohexyl]carbamate
CID 103720087

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-4-methylcycloheptan-1-amine?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-4-methylcycloheptan-1-amine (CID 65080639) is N-[2-(furan-2-yl)ethyl]-4-methylcycloheptan-1-amine.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-4-methylcycloheptan-1-amine?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-4-methylcycloheptan-1-amine is CC1CCCC(NCCc2ccco2)CC1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-4-methylcycloheptan-1-amine?
The InChIKey is OFNOOXKGEMFBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-12-4-2-5-13(8-7-12)15-10-9-14-6-3-11-16-14/h3,6,11-13,15H,2,4-5,7-10H2,1H3.
What are the key properties of N-[2-(furan-2-yl)ethyl]-4-methylcycloheptan-1-amine?
N-[2-(furan-2-yl)ethyl]-4-methylcycloheptan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.38, 4 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-methylcycloheptan-1-amine is sourced from PubChem (CID 65080639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).