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

C12H25NO — CID 115705777

IUPACN-[1-(oxolan-2-yl)propan-2-yl]pentan-1-amine
SMILESCCCCCNC(C)CC1CCCO1
InChIInChI=1S/C12H25NO/c1-3-4-5-8-13-11(2)10-12-7-6-9-14-12/h11-13H,3-10H2,1-2H3
InChIKeyFEKXPNCBGVSGED-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.72
Rot. Bonds7

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

N-[1-(oxolan-2-yl)propan-2-yl]pentan-1-amine (PubChem CID 115705777) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-[1-(oxolan-2-yl)propan-2-yl]pentan-1-amine.

Molecular Properties

Compound NameN-[1-(oxolan-2-yl)propan-2-yl]pentan-1-amine
PubChem CID115705777
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-[1-(oxolan-2-yl)propan-2-yl]pentan-1-amine
SMILESCCCCCNC(C)CC1CCCO1
InChIInChI=1S/C12H25NO/c1-3-4-5-8-13-11(2)10-12-7-6-9-14-12/h11-13H,3-10H2,1-2H3
InChIKeyFEKXPNCBGVSGED-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.72
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

4-ethoxy-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine
CID 115710165
N-(2-ethylsulfonylethyl)-1-(oxolan-2-yl)propan-2-amine
CID 115716501
N-methyl-1-(oxolan-2-yl)propan-2-amine
CID 60819551
2,3-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine
CID 115722687
(2R)-N-[[(2S)-oxolan-2-yl]methyl]octan-2-amine
CID 28879278
N-ethyl-1-(oxolan-2-yl)decan-2-amine
CID 62600159
1-cyclopropyl-N-[3-(oxan-2-yl)propyl]propan-2-amine
CID 104629286
1-(oxolan-2-yl)-N-(2-pyrazol-1-ylethyl)propan-2-amine
CID 115888839
1-(oxolan-2-yl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine
CID 115889004
5-(oxolan-2-yl)-N-propan-2-ylpentan-1-amine
CID 65166491
(2R)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine
CID 104868334
N-[(2-methylcyclopropyl)methyl]-1-(oxolan-2-yl)propan-2-amine
CID 115713100

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-yl)propan-2-yl]pentan-1-amine?
The IUPAC name of N-[1-(oxolan-2-yl)propan-2-yl]pentan-1-amine (CID 115705777) is N-[1-(oxolan-2-yl)propan-2-yl]pentan-1-amine.
What is the SMILES notation for N-[1-(oxolan-2-yl)propan-2-yl]pentan-1-amine?
The canonical SMILES for N-[1-(oxolan-2-yl)propan-2-yl]pentan-1-amine is CCCCCNC(C)CC1CCCO1.
What is the InChIKey of N-[1-(oxolan-2-yl)propan-2-yl]pentan-1-amine?
The InChIKey is FEKXPNCBGVSGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-4-5-8-13-11(2)10-12-7-6-9-14-12/h11-13H,3-10H2,1-2H3.
What are the key properties of N-[1-(oxolan-2-yl)propan-2-yl]pentan-1-amine?
N-[1-(oxolan-2-yl)propan-2-yl]pentan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-yl)propan-2-yl]pentan-1-amine is sourced from PubChem (CID 115705777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).