N-[3-(oxolan-2-yl)propyl]pentan-1-amine

C12H25NO — CID 65163916

IUPACN-[3-(oxolan-2-yl)propyl]pentan-1-amine
SMILESCCCCCNCCCC1CCCO1
InChIInChI=1S/C12H25NO/c1-2-3-4-9-13-10-5-7-12-8-6-11-14-12/h12-13H,2-11H2,1H3
InChIKeyKUBDWVLPZMHHCE-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.73
Rot. Bonds8

About N-[3-(oxolan-2-yl)propyl]pentan-1-amine

N-[3-(oxolan-2-yl)propyl]pentan-1-amine (PubChem CID 65163916) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-[3-(oxolan-2-yl)propyl]pentan-1-amine.

Molecular Properties

Compound NameN-[3-(oxolan-2-yl)propyl]pentan-1-amine
PubChem CID65163916
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-[3-(oxolan-2-yl)propyl]pentan-1-amine
SMILESCCCCCNCCCC1CCCO1
InChIInChI=1S/C12H25NO/c1-2-3-4-9-13-10-5-7-12-8-6-11-14-12/h12-13H,2-11H2,1H3
InChIKeyKUBDWVLPZMHHCE-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.73
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

Methyl(3-(oxolan-2-yl)propyl)amine
CID 12700136
Methyl[2-(oxan-2-yl)ethyl]amine
CID 45791005
Methyl(2-(oxolan-2-yl)ethyl)amine hydrochloride
CID 75481481
Methyl[2-(oxolan-2-yl)ethyl]amine
CID 20773508
N-ethyl-2-(3-propyloxiran-2-yl)ethanamine
CID 163646276
N-[2-[(2R)-oxolan-2-yl]ethyl]heptan-4-amine
CID 93468164
Tetrahydro-5-methyl-2-furanpropanamine
CID 55289661
1-(a-Tetrahydrofuryl)-2-ethylaminopropane
CID 60817983
1-Methylamino-1-(alpha-tetrahydrofuryl) propane
CID 129870720
3-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 65156707
3,3,3-trifluoro-N-[3-(oxolan-2-yl)propyl]propan-1-amine
CID 65163907
N-ethyl-1,1,1-trifluoro-5-(oxolan-2-yl)pentan-3-amine
CID 65164339

Frequently Asked Questions

What is the IUPAC name of N-[3-(oxolan-2-yl)propyl]pentan-1-amine?
The IUPAC name of N-[3-(oxolan-2-yl)propyl]pentan-1-amine (CID 65163916) is N-[3-(oxolan-2-yl)propyl]pentan-1-amine.
What is the SMILES notation for N-[3-(oxolan-2-yl)propyl]pentan-1-amine?
The canonical SMILES for N-[3-(oxolan-2-yl)propyl]pentan-1-amine is CCCCCNCCCC1CCCO1.
What is the InChIKey of N-[3-(oxolan-2-yl)propyl]pentan-1-amine?
The InChIKey is KUBDWVLPZMHHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-2-3-4-9-13-10-5-7-12-8-6-11-14-12/h12-13H,2-11H2,1H3.
What are the key properties of N-[3-(oxolan-2-yl)propyl]pentan-1-amine?
N-[3-(oxolan-2-yl)propyl]pentan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxolan-2-yl)propyl]pentan-1-amine is sourced from PubChem (CID 65163916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).