N-[3-(furan-2-yl)propyl]cycloheptanamine

C14H23NO — CID 60984430

IUPACN-[3-(furan-2-yl)propyl]cycloheptanamine
SMILESc1coc(CCCNC2CCCCCC2)c1
InChIInChI=1S/C14H23NO/c1-2-4-8-13(7-3-1)15-11-5-9-14-10-6-12-16-14/h6,10,12-13,15H,1-5,7-9,11H2
InChIKeyNKUXZMNPRIWIRH-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.52
Rot. Bonds5

About N-[3-(furan-2-yl)propyl]cycloheptanamine

N-[3-(furan-2-yl)propyl]cycloheptanamine (PubChem CID 60984430) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[3-(furan-2-yl)propyl]cycloheptanamine.

Molecular Properties

Compound NameN-[3-(furan-2-yl)propyl]cycloheptanamine
PubChem CID60984430
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[3-(furan-2-yl)propyl]cycloheptanamine
SMILESc1coc(CCCNC2CCCCCC2)c1
InChIInChI=1S/C14H23NO/c1-2-4-8-13(7-3-1)15-11-5-9-14-10-6-12-16-14/h6,10,12-13,15H,1-5,7-9,11H2
InChIKeyNKUXZMNPRIWIRH-UHFFFAOYSA-N
XLogP3.52
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopentanamine
CID 60663449
N-[2-(furan-2-yl)ethyl]-4-methylcycloheptan-1-amine
CID 65080639
N-cyclohexyl-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine
CID 62573857
N-[2-(furan-2-yl)ethyl]thian-3-amine
CID 62873615
N-(3-phenylpropyl)cyclododecanamine
CID 83958228
1-N-cyclopentyl-3-(furan-2-yl)propane-1,2-diamine
CID 117246076
N-[2-(furan-2-yl)ethyl]-4-propylcycloheptan-1-amine
CID 65086403
N-[2-(furan-2-yl)ethyl]-4-phenylcyclohexan-1-amine
CID 43395503
N-[2-(furan-2-yl)ethyl]-4-propylcyclohexan-1-amine
CID 43395506
3-(furan-2-yl)-N-methylpropan-1-amine
CID 2772204
2-(cyclohexylamino)-N-(furan-2-ylmethyl)acetamide
CID 54816411
1-cyclohexyl-3-cyclopropyl-2-[2-(furan-2-yl)ethyl]guanidine
CID 119115657

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)propyl]cycloheptanamine?
The IUPAC name of N-[3-(furan-2-yl)propyl]cycloheptanamine (CID 60984430) is N-[3-(furan-2-yl)propyl]cycloheptanamine.
What is the SMILES notation for N-[3-(furan-2-yl)propyl]cycloheptanamine?
The canonical SMILES for N-[3-(furan-2-yl)propyl]cycloheptanamine is c1coc(CCCNC2CCCCCC2)c1.
What is the InChIKey of N-[3-(furan-2-yl)propyl]cycloheptanamine?
The InChIKey is NKUXZMNPRIWIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-4-8-13(7-3-1)15-11-5-9-14-10-6-12-16-14/h6,10,12-13,15H,1-5,7-9,11H2.
What are the key properties of N-[3-(furan-2-yl)propyl]cycloheptanamine?
N-[3-(furan-2-yl)propyl]cycloheptanamine has a molecular weight of 221.34 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)propyl]cycloheptanamine is sourced from PubChem (CID 60984430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).