N-(oxan-3-ylmethyl)pent-3-yn-1-amine

C11H19NO — CID 104806406

IUPACN-(oxan-3-ylmethyl)pent-3-yn-1-amine
SMILESCC#CCCNCC1CCCOC1
InChIInChI=1S/C11H19NO/c1-2-3-4-7-12-9-11-6-5-8-13-10-11/h11-12H,4-10H2,1H3
InChIKeySWADTCSUFVKKFM-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.42
Rot. Bonds4

About N-(oxan-3-ylmethyl)pent-3-yn-1-amine

N-(oxan-3-ylmethyl)pent-3-yn-1-amine (PubChem CID 104806406) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-(oxan-3-ylmethyl)pent-3-yn-1-amine.

Molecular Properties

Compound NameN-(oxan-3-ylmethyl)pent-3-yn-1-amine
PubChem CID104806406
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-(oxan-3-ylmethyl)pent-3-yn-1-amine
SMILESCC#CCCNCC1CCCOC1
InChIInChI=1S/C11H19NO/c1-2-3-4-7-12-9-11-6-5-8-13-10-11/h11-12H,4-10H2,1H3
InChIKeySWADTCSUFVKKFM-UHFFFAOYSA-N
XLogP1.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
N-(oxan-3-ylmethyl)butan-1-amine
CID 61020591
2-cyclopentyl-N-(oxan-3-ylmethyl)ethanamine
CID 63741099
1-cyclopentyl-N-(oxan-3-ylmethyl)methanamine
CID 61342622
N-(oxan-3-ylmethyl)nonan-1-amine
CID 61020606
3-fluoro-N-(oxan-3-ylmethyl)propan-1-amine
CID 81105564
N-[(1-methylpiperidin-3-yl)methyl]pent-3-yn-1-amine
CID 104806624
N',N'-diethyl-N-[[(3R)-oxan-3-yl]methyl]ethane-1,2-diamine
CID 93449849
N-(oxan-3-ylmethyl)-2-propoxyethanamine
CID 106451725
3-ethoxy-N-(oxan-3-ylmethyl)propan-1-amine
CID 63738389
3-(oxolan-3-ylmethylamino)propanenitrile
CID 43207692
N-[(3,4-dimethylphenyl)methyl]-1-(oxan-3-yl)methanamine
CID 54906123

Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-ylmethyl)pent-3-yn-1-amine?
The IUPAC name of N-(oxan-3-ylmethyl)pent-3-yn-1-amine (CID 104806406) is N-(oxan-3-ylmethyl)pent-3-yn-1-amine.
What is the SMILES notation for N-(oxan-3-ylmethyl)pent-3-yn-1-amine?
The canonical SMILES for N-(oxan-3-ylmethyl)pent-3-yn-1-amine is CC#CCCNCC1CCCOC1.
What is the InChIKey of N-(oxan-3-ylmethyl)pent-3-yn-1-amine?
The InChIKey is SWADTCSUFVKKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-3-4-7-12-9-11-6-5-8-13-10-11/h11-12H,4-10H2,1H3.
What are the key properties of N-(oxan-3-ylmethyl)pent-3-yn-1-amine?
N-(oxan-3-ylmethyl)pent-3-yn-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-ylmethyl)pent-3-yn-1-amine is sourced from PubChem (CID 104806406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).