1-(azepan-2-yl)-N-[3-(furan-2-ylmethoxy)propyl]propan-2-amine

C17H30N2O2 — CID 79541309

IUPAC1-(azepan-2-yl)-N-[3-(furan-2-ylmethoxy)propyl]propan-2-amine
SMILESCC(CC1CCCCCN1)NCCCOCc1ccco1
InChIInChI=1S/C17H30N2O2/c1-15(13-16-7-3-2-4-9-19-16)18-10-6-11-20-14-17-8-5-12-21-17/h5,8,12,15-16,18-19H,2-4,6-7,9-11,13-14H2,1H3
InChIKeyRWNHIBMWAYKNKH-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.09
Rot. Bonds9

About 1-(azepan-2-yl)-N-[3-(furan-2-ylmethoxy)propyl]propan-2-amine

1-(azepan-2-yl)-N-[3-(furan-2-ylmethoxy)propyl]propan-2-amine (PubChem CID 79541309) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-(azepan-2-yl)-N-[3-(furan-2-ylmethoxy)propyl]propan-2-amine.

Molecular Properties

Compound Name1-(azepan-2-yl)-N-[3-(furan-2-ylmethoxy)propyl]propan-2-amine
PubChem CID79541309
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-(azepan-2-yl)-N-[3-(furan-2-ylmethoxy)propyl]propan-2-amine
SMILESCC(CC1CCCCCN1)NCCCOCc1ccco1
InChIInChI=1S/C17H30N2O2/c1-15(13-16-7-3-2-4-9-19-16)18-10-6-11-20-14-17-8-5-12-21-17/h5,8,12,15-16,18-19H,2-4,6-7,9-11,13-14H2,1H3
InChIKeyRWNHIBMWAYKNKH-UHFFFAOYSA-N
XLogP3.09
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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]-1-pyrrolidin-2-ylpropan-2-amine
CID 79540382
N-[3-(furan-2-ylmethoxy)propyl]-2-pyrrolidin-2-ylacetamide
CID 61364298
1-(azepan-2-yl)-N-(3-ethenoxypropyl)propan-2-amine
CID 79560276
N-[1-(azepan-2-yl)propan-2-yl]-4-methoxybutan-1-amine
CID 79560965
1-(azepan-2-yl)-N-[1-(furan-2-yl)ethyl]propan-2-amine
CID 79560545
1-(azepan-2-yl)-N-(2-butoxyethyl)propan-2-amine
CID 79560725
N-(3-cyclohexyloxypropyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79540247
N-[1-(furan-2-yl)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 79549697
3-(furan-2-ylmethoxy)-N-[1-(1-methylcyclopropyl)ethyl]propan-1-amine
CID 43363264
N-[3-(furan-2-ylmethoxy)propyl]-3-methoxybutan-2-amine
CID 115707867
N-(2-phenylsulfanylethyl)-1-piperidin-2-ylpropan-2-amine
CID 79537019
N-(cyclopentylmethyl)-3-(furan-2-ylmethoxy)propan-1-amine
CID 62071034

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-2-yl)-N-[3-(furan-2-ylmethoxy)propyl]propan-2-amine?
The IUPAC name of 1-(azepan-2-yl)-N-[3-(furan-2-ylmethoxy)propyl]propan-2-amine (CID 79541309) is 1-(azepan-2-yl)-N-[3-(furan-2-ylmethoxy)propyl]propan-2-amine.
What is the SMILES notation for 1-(azepan-2-yl)-N-[3-(furan-2-ylmethoxy)propyl]propan-2-amine?
The canonical SMILES for 1-(azepan-2-yl)-N-[3-(furan-2-ylmethoxy)propyl]propan-2-amine is CC(CC1CCCCCN1)NCCCOCc1ccco1.
What is the InChIKey of 1-(azepan-2-yl)-N-[3-(furan-2-ylmethoxy)propyl]propan-2-amine?
The InChIKey is RWNHIBMWAYKNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-15(13-16-7-3-2-4-9-19-16)18-10-6-11-20-14-17-8-5-12-21-17/h5,8,12,15-16,18-19H,2-4,6-7,9-11,13-14H2,1H3.
What are the key properties of 1-(azepan-2-yl)-N-[3-(furan-2-ylmethoxy)propyl]propan-2-amine?
1-(azepan-2-yl)-N-[3-(furan-2-ylmethoxy)propyl]propan-2-amine has a molecular weight of 294.44 g/mol, XLogP of 3.09, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-2-yl)-N-[3-(furan-2-ylmethoxy)propyl]propan-2-amine is sourced from PubChem (CID 79541309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).