N-(oxan-2-ylmethyl)propan-1-amine

C9H19NO — CID 13288217

IUPACN-(oxan-2-ylmethyl)propan-1-amine
SMILESCCCNCC1CCCCO1
InChIInChI=1S/C9H19NO/c1-2-6-10-8-9-5-3-4-7-11-9/h9-10H,2-8H2,1H3
InChIKeyWKGWUINPAIIGNQ-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.56
Rot. Bonds4

About N-(oxan-2-ylmethyl)propan-1-amine

N-(oxan-2-ylmethyl)propan-1-amine (PubChem CID 13288217) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-(oxan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(oxan-2-ylmethyl)propan-1-amine
PubChem CID13288217
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-(oxan-2-ylmethyl)propan-1-amine
SMILESCCCNCC1CCCCO1
InChIInChI=1S/C9H19NO/c1-2-6-10-8-9-5-3-4-7-11-9/h9-10H,2-8H2,1H3
InChIKeyWKGWUINPAIIGNQ-UHFFFAOYSA-N
XLogP1.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 62834649
3-butoxy-N-(oxan-2-ylmethyl)propan-1-amine
CID 115574364
N-butyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54806845
3-ethoxy-N-(oxan-2-ylmethyl)propan-1-amine
CID 43403648
3,3,3-trifluoro-N-(oxan-2-ylmethyl)propan-1-amine
CID 63226004
4-bromo-N-(oxan-2-ylmethyl)butan-1-amine
CID 106844706
N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine
CID 81025790
N-(oxolan-2-ylmethyl)-2-undecoxyethanamine
CID 22091535
1-(oxan-2-ylmethyl)-3-propylthiourea
CID 115593169
5-methyl-N-(oxan-2-ylmethyl)hexan-1-amine
CID 115325674
N'-methyl-N-(oxolan-2-ylmethyl)-N'-propylethane-1,2-diamine
CID 62561860
N'-tert-butyl-N-(oxan-2-ylmethyl)propane-1,3-diamine
CID 60694368

Frequently Asked Questions

What is the IUPAC name of N-(oxan-2-ylmethyl)propan-1-amine?
The IUPAC name of N-(oxan-2-ylmethyl)propan-1-amine (CID 13288217) is N-(oxan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-(oxan-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-(oxan-2-ylmethyl)propan-1-amine is CCCNCC1CCCCO1.
What is the InChIKey of N-(oxan-2-ylmethyl)propan-1-amine?
The InChIKey is WKGWUINPAIIGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-2-6-10-8-9-5-3-4-7-11-9/h9-10H,2-8H2,1H3.
What are the key properties of N-(oxan-2-ylmethyl)propan-1-amine?
N-(oxan-2-ylmethyl)propan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 13288217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).