N-(furan-3-ylmethyl)hept-6-en-1-amine

C12H19NO — CID 107007166

IUPACN-(furan-3-ylmethyl)hept-6-en-1-amine
SMILESC=CCCCCCNCc1ccoc1
InChIInChI=1S/C12H19NO/c1-2-3-4-5-6-8-13-10-12-7-9-14-11-12/h2,7,9,11,13H,1,3-6,8,10H2
InChIKeyCRVDKRIYSZOFFM-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.12
Rot. Bonds8

About N-(furan-3-ylmethyl)hept-6-en-1-amine

N-(furan-3-ylmethyl)hept-6-en-1-amine (PubChem CID 107007166) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)hept-6-en-1-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)hept-6-en-1-amine
PubChem CID107007166
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-(furan-3-ylmethyl)hept-6-en-1-amine
SMILESC=CCCCCCNCc1ccoc1
InChIInChI=1S/C12H19NO/c1-2-3-4-5-6-8-13-10-12-7-9-14-11-12/h2,7,9,11,13H,1,3-6,8,10H2
InChIKeyCRVDKRIYSZOFFM-UHFFFAOYSA-N
XLogP3.12
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-3-ylmethyl)-2-pent-4-enoxyethanamine
CID 79114939
5-(furan-3-ylmethylamino)pentanenitrile
CID 115611430
1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
4,4,4-trifluoro-N-(furan-3-ylmethyl)butan-1-amine
CID 79038889
N-(furan-3-ylmethyl)-3-methoxypropan-1-amine
CID 62997873
N-[(3-fluorophenyl)methyl]hept-6-en-1-amine
CID 107006535
4-(furan-3-ylmethylamino)-N-methylbutanamide
CID 115607627
3-ethoxy-N-(furan-3-ylmethyl)propan-1-amine
CID 62997867
N-[(1-methylpyrazol-4-yl)methyl]hept-6-en-1-amine
CID 107006664
N-(furan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560326
N-(furan-3-ylmethyl)-3-thiophen-2-ylpropan-1-amine
CID 115883665
2-(furan-3-ylmethylamino)acetic acid
CID 63204531

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)hept-6-en-1-amine?
The IUPAC name of N-(furan-3-ylmethyl)hept-6-en-1-amine (CID 107007166) is N-(furan-3-ylmethyl)hept-6-en-1-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)hept-6-en-1-amine?
The canonical SMILES for N-(furan-3-ylmethyl)hept-6-en-1-amine is C=CCCCCCNCc1ccoc1.
What is the InChIKey of N-(furan-3-ylmethyl)hept-6-en-1-amine?
The InChIKey is CRVDKRIYSZOFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-2-3-4-5-6-8-13-10-12-7-9-14-11-12/h2,7,9,11,13H,1,3-6,8,10H2.
What are the key properties of N-(furan-3-ylmethyl)hept-6-en-1-amine?
N-(furan-3-ylmethyl)hept-6-en-1-amine has a molecular weight of 193.29 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)hept-6-en-1-amine is sourced from PubChem (CID 107007166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).