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

C14H29NO — CID 142101487

IUPACN-(3,4-dimethylpentyl)-N-ethyloxan-4-amine
SMILESCCN(CCC(C)C(C)C)C1CCOCC1
InChIInChI=1S/C14H29NO/c1-5-15(9-6-13(4)12(2)3)14-7-10-16-11-8-14/h12-14H,5-11H2,1-4H3
InChIKeyCWKAEIXQDRDLAR-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.17
Rot. Bonds6

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

N-(3,4-dimethylpentyl)-N-ethyloxan-4-amine (PubChem CID 142101487) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-(3,4-dimethylpentyl)-N-ethyloxan-4-amine.

Molecular Properties

Compound NameN-(3,4-dimethylpentyl)-N-ethyloxan-4-amine
PubChem CID142101487
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-(3,4-dimethylpentyl)-N-ethyloxan-4-amine
SMILESCCN(CCC(C)C(C)C)C1CCOCC1
InChIInChI=1S/C14H29NO/c1-5-15(9-6-13(4)12(2)3)14-7-10-16-11-8-14/h12-14H,5-11H2,1-4H3
InChIKeyCWKAEIXQDRDLAR-UHFFFAOYSA-N
XLogP3.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylpentyl)-N-ethyloxan-4-amine?
The IUPAC name of N-(3,4-dimethylpentyl)-N-ethyloxan-4-amine (CID 142101487) is N-(3,4-dimethylpentyl)-N-ethyloxan-4-amine.
What is the SMILES notation for N-(3,4-dimethylpentyl)-N-ethyloxan-4-amine?
The canonical SMILES for N-(3,4-dimethylpentyl)-N-ethyloxan-4-amine is CCN(CCC(C)C(C)C)C1CCOCC1.
What is the InChIKey of N-(3,4-dimethylpentyl)-N-ethyloxan-4-amine?
The InChIKey is CWKAEIXQDRDLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-15(9-6-13(4)12(2)3)14-7-10-16-11-8-14/h12-14H,5-11H2,1-4H3.
What are the key properties of N-(3,4-dimethylpentyl)-N-ethyloxan-4-amine?
N-(3,4-dimethylpentyl)-N-ethyloxan-4-amine has a molecular weight of 227.39 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylpentyl)-N-ethyloxan-4-amine is sourced from PubChem (CID 142101487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).