N-[(4-ethyloxan-4-yl)methyl]propan-2-amine

C11H23NO — CID 62905554

IUPACN-[(4-ethyloxan-4-yl)methyl]propan-2-amine
SMILESCCC1(CNC(C)C)CCOCC1
InChIInChI=1S/C11H23NO/c1-4-11(9-12-10(2)3)5-7-13-8-6-11/h10,12H,4-9H2,1-3H3
InChIKeyNVAVQPRQWSULLA-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.19
Rot. Bonds4

About N-[(4-ethyloxan-4-yl)methyl]propan-2-amine

N-[(4-ethyloxan-4-yl)methyl]propan-2-amine (PubChem CID 62905554) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-[(4-ethyloxan-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-ethyloxan-4-yl)methyl]propan-2-amine
PubChem CID62905554
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-[(4-ethyloxan-4-yl)methyl]propan-2-amine
SMILESCCC1(CNC(C)C)CCOCC1
InChIInChI=1S/C11H23NO/c1-4-11(9-12-10(2)3)5-7-13-8-6-11/h10,12H,4-9H2,1-3H3
InChIKeyNVAVQPRQWSULLA-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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyloxan-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(4-ethyloxan-4-yl)methyl]propan-2-amine (CID 62905554) is N-[(4-ethyloxan-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-ethyloxan-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-ethyloxan-4-yl)methyl]propan-2-amine is CCC1(CNC(C)C)CCOCC1.
What is the InChIKey of N-[(4-ethyloxan-4-yl)methyl]propan-2-amine?
The InChIKey is NVAVQPRQWSULLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-11(9-12-10(2)3)5-7-13-8-6-11/h10,12H,4-9H2,1-3H3.
What are the key properties of N-[(4-ethyloxan-4-yl)methyl]propan-2-amine?
N-[(4-ethyloxan-4-yl)methyl]propan-2-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-ethyloxan-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 62905554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).