N-(4,4-dimethylpentyl)oxolan-3-amine

C11H23NO — CID 115689448

IUPACN-(4,4-dimethylpentyl)oxolan-3-amine
SMILESCC(C)(C)CCCNC1CCOC1
InChIInChI=1S/C11H23NO/c1-11(2,3)6-4-7-12-10-5-8-13-9-10/h10,12H,4-9H2,1-3H3
InChIKeyRSNNPLLIRBAGFL-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.19
Rot. Bonds4

About N-(4,4-dimethylpentyl)oxolan-3-amine

N-(4,4-dimethylpentyl)oxolan-3-amine (PubChem CID 115689448) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-(4,4-dimethylpentyl)oxolan-3-amine.

Molecular Properties

Compound NameN-(4,4-dimethylpentyl)oxolan-3-amine
PubChem CID115689448
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-(4,4-dimethylpentyl)oxolan-3-amine
SMILESCC(C)(C)CCCNC1CCOC1
InChIInChI=1S/C11H23NO/c1-11(2,3)6-4-7-12-10-5-8-13-9-10/h10,12H,4-9H2,1-3H3
InChIKeyRSNNPLLIRBAGFL-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.19
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'-(oxolan-3-yl)propane-1,3-diamine
CID 63335365
N-(3,3,3-trifluoropropyl)oxolan-3-amine
CID 63335110
N-(4-iodobutyl)oxolan-3-amine
CID 106844615
N-(4-methoxybutyl)oxolan-3-amine
CID 63335646
(3S)-N-[3-(3-methylcyclobutyl)propyl]oxolan-3-amine
CID 167310676
N-(2-methoxyethyl)oxolan-3-amine
CID 63331660
N-(2-cyclopentylethyl)oxolan-3-amine
CID 63335422
2-methyl-5-(oxolan-3-ylamino)pentan-1-ol
CID 103859420
2,2-dimethyl-4-(oxan-4-ylamino)butanoic acid
CID 115221048
N-(5,5-dimethylhexyl)cyclohexanamine
CID 58974848
N-[2-(1-methylpiperidin-4-yl)ethyl]oxolan-3-amine
CID 115689075
N-(4,4-dimethylpentyl)thiolan-3-amine
CID 115891448

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpentyl)oxolan-3-amine?
The IUPAC name of N-(4,4-dimethylpentyl)oxolan-3-amine (CID 115689448) is N-(4,4-dimethylpentyl)oxolan-3-amine.
What is the SMILES notation for N-(4,4-dimethylpentyl)oxolan-3-amine?
The canonical SMILES for N-(4,4-dimethylpentyl)oxolan-3-amine is CC(C)(C)CCCNC1CCOC1.
What is the InChIKey of N-(4,4-dimethylpentyl)oxolan-3-amine?
The InChIKey is RSNNPLLIRBAGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-11(2,3)6-4-7-12-10-5-8-13-9-10/h10,12H,4-9H2,1-3H3.
What are the key properties of N-(4,4-dimethylpentyl)oxolan-3-amine?
N-(4,4-dimethylpentyl)oxolan-3-amine has a molecular weight of 185.31 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpentyl)oxolan-3-amine is sourced from PubChem (CID 115689448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).