N-[3-(furan-2-ylmethoxy)propyl]-4-propylcycloheptan-1-amine

C18H31NO2 — CID 65087332

IUPACN-[3-(furan-2-ylmethoxy)propyl]-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(NCCCOCc2ccco2)CC1
InChIInChI=1S/C18H31NO2/c1-2-6-16-7-3-8-17(11-10-16)19-12-5-13-20-15-18-9-4-14-21-18/h4,9,14,16-17,19H,2-3,5-8,10-13,15H2,1H3
InChIKeyCOTIZFRVOMQNHH-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.52
Rot. Bonds9

About N-[3-(furan-2-ylmethoxy)propyl]-4-propylcycloheptan-1-amine

N-[3-(furan-2-ylmethoxy)propyl]-4-propylcycloheptan-1-amine (PubChem CID 65087332) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethoxy)propyl]-4-propylcycloheptan-1-amine.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethoxy)propyl]-4-propylcycloheptan-1-amine
PubChem CID65087332
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC NameN-[3-(furan-2-ylmethoxy)propyl]-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(NCCCOCc2ccco2)CC1
InChIInChI=1S/C18H31NO2/c1-2-6-16-7-3-8-17(11-10-16)19-12-5-13-20-15-18-9-4-14-21-18/h4,9,14,16-17,19H,2-3,5-8,10-13,15H2,1H3
InChIKeyCOTIZFRVOMQNHH-UHFFFAOYSA-N
XLogP4.52
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(furan-2-yl)ethyl]-4-propylcycloheptan-1-amine
CID 65086403
N-[3-(furan-2-ylmethoxy)propyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64753620
N-[2-(furan-2-yl)ethyl]-4-propylcyclohexan-1-amine
CID 43395506
N-[3-(furan-2-ylmethoxy)propyl]-1-methylpiperidin-4-amine
CID 28681139
N-(cyclopentylmethyl)-3-(furan-2-ylmethoxy)propan-1-amine
CID 62071034
N-[2-(furan-2-ylmethoxy)ethyl]-3-methylcyclohexan-1-amine
CID 62565180
5-(furan-2-ylmethoxy)-N-propylpentan-1-amine
CID 62445042
3-ethoxy-N-[2-(furan-2-ylmethoxy)ethyl]propan-1-amine
CID 62565573
N-[3-(furan-2-ylmethoxy)propyl]-5,5-dimethylthian-3-amine
CID 79956139
N-[2-(furan-2-yl)ethyl]-4-methylcycloheptan-1-amine
CID 65080639
N-(2-phenylsulfanylethyl)-4-propylcycloheptan-1-amine
CID 65091598
N-[3-(furan-2-ylmethoxy)propyl]-2-methylthiolan-3-amine
CID 102671412

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethoxy)propyl]-4-propylcycloheptan-1-amine?
The IUPAC name of N-[3-(furan-2-ylmethoxy)propyl]-4-propylcycloheptan-1-amine (CID 65087332) is N-[3-(furan-2-ylmethoxy)propyl]-4-propylcycloheptan-1-amine.
What is the SMILES notation for N-[3-(furan-2-ylmethoxy)propyl]-4-propylcycloheptan-1-amine?
The canonical SMILES for N-[3-(furan-2-ylmethoxy)propyl]-4-propylcycloheptan-1-amine is CCCC1CCCC(NCCCOCc2ccco2)CC1.
What is the InChIKey of N-[3-(furan-2-ylmethoxy)propyl]-4-propylcycloheptan-1-amine?
The InChIKey is COTIZFRVOMQNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-2-6-16-7-3-8-17(11-10-16)19-12-5-13-20-15-18-9-4-14-21-18/h4,9,14,16-17,19H,2-3,5-8,10-13,15H2,1H3.
What are the key properties of N-[3-(furan-2-ylmethoxy)propyl]-4-propylcycloheptan-1-amine?
N-[3-(furan-2-ylmethoxy)propyl]-4-propylcycloheptan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethoxy)propyl]-4-propylcycloheptan-1-amine is sourced from PubChem (CID 65087332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).