N-(furan-2-ylmethyl)-6-methylhept-5-en-2-amine

C13H21NO — CID 2867450

IUPACN-(furan-2-ylmethyl)-6-methylhept-5-en-2-amine
SMILESCC(C)=CCCC(C)NCc1ccco1
InChIInChI=1S/C13H21NO/c1-11(2)6-4-7-12(3)14-10-13-8-5-9-15-13/h5-6,8-9,12,14H,4,7,10H2,1-3H3
InChIKeyGZZLMYUOYGEEIK-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.50
Rot. Bonds6

About N-(furan-2-ylmethyl)-6-methylhept-5-en-2-amine

N-(furan-2-ylmethyl)-6-methylhept-5-en-2-amine (PubChem CID 2867450) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-6-methylhept-5-en-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-6-methylhept-5-en-2-amine
PubChem CID2867450
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-(furan-2-ylmethyl)-6-methylhept-5-en-2-amine
SMILESCC(C)=CCCC(C)NCc1ccco1
InChIInChI=1S/C13H21NO/c1-11(2)6-4-7-12(3)14-10-13-8-5-9-15-13/h5-6,8-9,12,14H,4,7,10H2,1-3H3
InChIKeyGZZLMYUOYGEEIK-UHFFFAOYSA-N
XLogP3.50
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-6-methylhept-5-en-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-6-methylhept-5-en-2-amine (CID 2867450) is N-(furan-2-ylmethyl)-6-methylhept-5-en-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-6-methylhept-5-en-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-6-methylhept-5-en-2-amine is CC(C)=CCCC(C)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-6-methylhept-5-en-2-amine?
The InChIKey is GZZLMYUOYGEEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11(2)6-4-7-12(3)14-10-13-8-5-9-15-13/h5-6,8-9,12,14H,4,7,10H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-6-methylhept-5-en-2-amine?
N-(furan-2-ylmethyl)-6-methylhept-5-en-2-amine has a molecular weight of 207.32 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-6-methylhept-5-en-2-amine is sourced from PubChem (CID 2867450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).