N-(furan-3-ylmethyl)hex-1-yn-3-amine

C11H15NO — CID 106226947

IUPACN-(furan-3-ylmethyl)hex-1-yn-3-amine
SMILESC#CC(CCC)NCc1ccoc1
InChIInChI=1S/C11H15NO/c1-3-5-11(4-2)12-8-10-6-7-13-9-10/h2,6-7,9,11-12H,3,5,8H2,1H3
InChIKeyDJAWWGZLZHNVDV-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.17
Rot. Bonds5

About N-(furan-3-ylmethyl)hex-1-yn-3-amine

N-(furan-3-ylmethyl)hex-1-yn-3-amine (PubChem CID 106226947) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)hex-1-yn-3-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)hex-1-yn-3-amine
PubChem CID106226947
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN-(furan-3-ylmethyl)hex-1-yn-3-amine
SMILESC#CC(CCC)NCc1ccoc1
InChIInChI=1S/C11H15NO/c1-3-5-11(4-2)12-8-10-6-7-13-9-10/h2,6-7,9,11-12H,3,5,8H2,1H3
InChIKeyDJAWWGZLZHNVDV-UHFFFAOYSA-N
XLogP2.17
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(methoxymethyl)phenyl]methyl]hex-1-yn-3-amine
CID 107234261
N-[(1-methylpyrazol-4-yl)methyl]hex-1-yn-3-amine
CID 107234285
N-(furan-3-ylmethyl)-2-methylpentan-3-amine
CID 63000846
N-[(4-pyrazol-1-ylphenyl)methyl]hex-1-yn-3-amine
CID 107234255
N-[(3-chloro-4-fluorophenyl)methyl]hex-1-yn-3-amine
CID 107234241
N-[[3-(difluoromethyl)phenyl]methyl]hex-1-yn-3-amine
CID 114160795
N-(furan-3-ylmethyl)-5-methylhexan-2-amine
CID 62997685
N-[(3-propoxyphenyl)methyl]hex-1-yn-3-amine
CID 114160786
2-ethoxy-4-[(hex-1-yn-3-ylamino)methyl]phenol
CID 106227055
(2S)-2-(furan-3-ylmethylamino)propan-1-ol
CID 103773853
N-[(2,5-difluorophenyl)methyl]hex-1-yn-3-amine
CID 106227080
N-[(4-chlorothiophen-2-yl)methyl]hex-1-yn-3-amine
CID 106227166

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)hex-1-yn-3-amine?
The IUPAC name of N-(furan-3-ylmethyl)hex-1-yn-3-amine (CID 106226947) is N-(furan-3-ylmethyl)hex-1-yn-3-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)hex-1-yn-3-amine?
The canonical SMILES for N-(furan-3-ylmethyl)hex-1-yn-3-amine is C#CC(CCC)NCc1ccoc1.
What is the InChIKey of N-(furan-3-ylmethyl)hex-1-yn-3-amine?
The InChIKey is DJAWWGZLZHNVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-5-11(4-2)12-8-10-6-7-13-9-10/h2,6-7,9,11-12H,3,5,8H2,1H3.
What are the key properties of N-(furan-3-ylmethyl)hex-1-yn-3-amine?
N-(furan-3-ylmethyl)hex-1-yn-3-amine has a molecular weight of 177.25 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)hex-1-yn-3-amine is sourced from PubChem (CID 106226947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).