1-(5-methylfuran-2-yl)-3-methylidenepentan-1-amine

C11H17NO — CID 105005843

IUPAC1-(5-methylfuran-2-yl)-3-methylidenepentan-1-amine
SMILESC=C(CC)CC(N)c1ccc(C)o1
InChIInChI=1S/C11H17NO/c1-4-8(2)7-10(12)11-6-5-9(3)13-11/h5-6,10H,2,4,7,12H2,1,3H3
InChIKeyNOTNEQVSKRTBMU-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.94
Rot. Bonds4

About 1-(5-methylfuran-2-yl)-3-methylidenepentan-1-amine

1-(5-methylfuran-2-yl)-3-methylidenepentan-1-amine (PubChem CID 105005843) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-3-methylidenepentan-1-amine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-3-methylidenepentan-1-amine
PubChem CID105005843
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-(5-methylfuran-2-yl)-3-methylidenepentan-1-amine
SMILESC=C(CC)CC(N)c1ccc(C)o1
InChIInChI=1S/C11H17NO/c1-4-8(2)7-10(12)11-6-5-9(3)13-11/h5-6,10H,2,4,7,12H2,1,3H3
InChIKeyNOTNEQVSKRTBMU-UHFFFAOYSA-N
XLogP2.94
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;(1R)-1-(5-methylfuran-2-yl)propan-1-amine
CID 142856729
1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine
CID 105163947
(1S)-2-fluoro-1-(5-methylfuran-2-yl)ethanamine;hydrochloride
CID 171212357
2-ethoxy-1-(5-methylfuran-2-yl)ethanamine
CID 16793106
3-methyl-1-(5-methylfuran-2-yl)pentan-1-amine
CID 114874408
1-(2,6-dimethyl-3-pyridinyl)-3-methylidenepentan-1-amine
CID 105163949
1-(furan-3-yl)-3-methylidenepentan-1-amine
CID 66039477
1-(3,4-dimethylphenyl)-3-methylidenepentan-1-amine
CID 105005776
1-(2-ethylphenyl)-3-methylidenepentan-1-amine
CID 105006111
1-(5-methylfuran-2-yl)hexan-1-amine;hydrochloride
CID 86262852
3-amino-3-(5-methylfuran-2-yl)propanenitrile
CID 55292038
3-methylidene-1-thiophen-3-ylpentan-1-amine
CID 66044101

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-3-methylidenepentan-1-amine?
The IUPAC name of 1-(5-methylfuran-2-yl)-3-methylidenepentan-1-amine (CID 105005843) is 1-(5-methylfuran-2-yl)-3-methylidenepentan-1-amine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-3-methylidenepentan-1-amine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-3-methylidenepentan-1-amine is C=C(CC)CC(N)c1ccc(C)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-3-methylidenepentan-1-amine?
The InChIKey is NOTNEQVSKRTBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-8(2)7-10(12)11-6-5-9(3)13-11/h5-6,10H,2,4,7,12H2,1,3H3.
What are the key properties of 1-(5-methylfuran-2-yl)-3-methylidenepentan-1-amine?
1-(5-methylfuran-2-yl)-3-methylidenepentan-1-amine has a molecular weight of 179.26 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-3-methylidenepentan-1-amine is sourced from PubChem (CID 105005843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).