N-heptan-4-yloxolan-2-amine

C11H23NO — CID 173097504

IUPACN-heptan-4-yloxolan-2-amine
SMILESCCCC(CCC)NC1CCCO1
InChIInChI=1S/C11H23NO/c1-3-6-10(7-4-2)12-11-8-5-9-13-11/h10-12H,3-9H2,1-2H3
InChIKeyRGIZHSRDFPJMJO-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.68
Rot. Bonds6

About N-heptan-4-yloxolan-2-amine

N-heptan-4-yloxolan-2-amine (PubChem CID 173097504) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-heptan-4-yloxolan-2-amine.

Molecular Properties

Compound NameN-heptan-4-yloxolan-2-amine
PubChem CID173097504
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-heptan-4-yloxolan-2-amine
SMILESCCCC(CCC)NC1CCCO1
InChIInChI=1S/C11H23NO/c1-3-6-10(7-4-2)12-11-8-5-9-13-11/h10-12H,3-9H2,1-2H3
InChIKeyRGIZHSRDFPJMJO-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-pentan-2-yloxolan-2-amine
CID 173097405
2-N-(oxolan-2-yl)propane-1,2-diamine
CID 135236045
N-heptan-4-yl-2-methylcyclohexan-1-amine
CID 43097186
N-heptan-4-yl-2-methylcyclopentan-1-amine
CID 63277449
3-(heptan-4-ylamino)oxolan-2-one
CID 43824129
2-(heptan-4-ylamino)cyclopentan-1-ol
CID 115677217
1-N,2-N-di(hexan-3-yl)cyclohexane-1,2-diamine
CID 67216091
N-hexan-3-ylcyclopropanamine
CID 103920845
(2R)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]pentan-1-amine
CID 28619216
4-methyl-N-[1-(oxolan-2-yl)propyl]cyclohexan-1-amine
CID 115896540
N-decan-4-ylcyclohexanamine
CID 175237913
(2R)-2-(oxan-2-ylamino)propanoic acid
CID 68789041

Frequently Asked Questions

What is the IUPAC name of N-heptan-4-yloxolan-2-amine?
The IUPAC name of N-heptan-4-yloxolan-2-amine (CID 173097504) is N-heptan-4-yloxolan-2-amine.
What is the SMILES notation for N-heptan-4-yloxolan-2-amine?
The canonical SMILES for N-heptan-4-yloxolan-2-amine is CCCC(CCC)NC1CCCO1.
What is the InChIKey of N-heptan-4-yloxolan-2-amine?
The InChIKey is RGIZHSRDFPJMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-6-10(7-4-2)12-11-8-5-9-13-11/h10-12H,3-9H2,1-2H3.
What are the key properties of N-heptan-4-yloxolan-2-amine?
N-heptan-4-yloxolan-2-amine has a molecular weight of 185.31 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-4-yloxolan-2-amine is sourced from PubChem (CID 173097504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).