N-[(3-methylfuran-2-yl)methyl]hept-6-en-2-amine

C13H21NO — CID 115908896

IUPACN-[(3-methylfuran-2-yl)methyl]hept-6-en-2-amine
SMILESC=CCCCC(C)NCc1occc1C
InChIInChI=1S/C13H21NO/c1-4-5-6-7-12(3)14-10-13-11(2)8-9-15-13/h4,8-9,12,14H,1,5-7,10H2,2-3H3
InChIKeyWPHLPQYVYZGQNH-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.42
Rot. Bonds7

About N-[(3-methylfuran-2-yl)methyl]hept-6-en-2-amine

N-[(3-methylfuran-2-yl)methyl]hept-6-en-2-amine (PubChem CID 115908896) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(3-methylfuran-2-yl)methyl]hept-6-en-2-amine.

Molecular Properties

Compound NameN-[(3-methylfuran-2-yl)methyl]hept-6-en-2-amine
PubChem CID115908896
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-[(3-methylfuran-2-yl)methyl]hept-6-en-2-amine
SMILESC=CCCCC(C)NCc1occc1C
InChIInChI=1S/C13H21NO/c1-4-5-6-7-12(3)14-10-13-11(2)8-9-15-13/h4,8-9,12,14H,1,5-7,10H2,2-3H3
InChIKeyWPHLPQYVYZGQNH-UHFFFAOYSA-N
XLogP3.42
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.42
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-[1-(3-methylfuran-2-yl)ethyl]hept-6-en-2-amine
CID 115906854
2-[(3-methylfuran-2-yl)methylamino]propan-1-ol
CID 115656397
N-[(3-methylfuran-2-yl)methyl]-1-(2-methylphenyl)propan-2-amine
CID 113242970
4-[3-[(3-methylfuran-2-yl)methylamino]butyl]phenol
CID 115653278
1-(4-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]propan-2-amine
CID 115652236
N-(thiophen-2-ylmethyl)hept-6-en-2-amine
CID 115908870
N-[(2,5-dimethylfuran-3-yl)methyl]hept-6-en-2-amine
CID 115908910
N-[(5-methoxythiophen-2-yl)methyl]hept-6-en-2-amine
CID 115908921
(1S)-N-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 113488659
(1R)-N-[(3-methylfuran-2-yl)methyl]-1-phenylethanamine
CID 114986470
N-[(3-methylfuran-2-yl)methyl]-1-phenylethanamine
CID 115651338
N-[(1-methylpyrrol-2-yl)methyl]oct-7-en-2-amine
CID 115897982

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylfuran-2-yl)methyl]hept-6-en-2-amine?
The IUPAC name of N-[(3-methylfuran-2-yl)methyl]hept-6-en-2-amine (CID 115908896) is N-[(3-methylfuran-2-yl)methyl]hept-6-en-2-amine.
What is the SMILES notation for N-[(3-methylfuran-2-yl)methyl]hept-6-en-2-amine?
The canonical SMILES for N-[(3-methylfuran-2-yl)methyl]hept-6-en-2-amine is C=CCCCC(C)NCc1occc1C.
What is the InChIKey of N-[(3-methylfuran-2-yl)methyl]hept-6-en-2-amine?
The InChIKey is WPHLPQYVYZGQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-5-6-7-12(3)14-10-13-11(2)8-9-15-13/h4,8-9,12,14H,1,5-7,10H2,2-3H3.
What are the key properties of N-[(3-methylfuran-2-yl)methyl]hept-6-en-2-amine?
N-[(3-methylfuran-2-yl)methyl]hept-6-en-2-amine has a molecular weight of 207.32 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylfuran-2-yl)methyl]hept-6-en-2-amine is sourced from PubChem (CID 115908896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).