4-[2-(butan-2-ylamino)ethoxy]cyclohexan-1-amine

C12H26N2O — CID 79678630

IUPAC4-[2-(butan-2-ylamino)ethoxy]cyclohexan-1-amine
SMILESCCC(C)NCCOC1CCC(N)CC1
InChIInChI=1S/C12H26N2O/c1-3-10(2)14-8-9-15-12-6-4-11(13)5-7-12/h10-12,14H,3-9,13H2,1-2H3
InChIKeyRWYNTLXKDDDPFX-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.66
Rot. Bonds6

About 4-[2-(butan-2-ylamino)ethoxy]cyclohexan-1-amine

4-[2-(butan-2-ylamino)ethoxy]cyclohexan-1-amine (PubChem CID 79678630) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 4-[2-(butan-2-ylamino)ethoxy]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[2-(butan-2-ylamino)ethoxy]cyclohexan-1-amine
PubChem CID79678630
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name4-[2-(butan-2-ylamino)ethoxy]cyclohexan-1-amine
SMILESCCC(C)NCCOC1CCC(N)CC1
InChIInChI=1S/C12H26N2O/c1-3-10(2)14-8-9-15-12-6-4-11(13)5-7-12/h10-12,14H,3-9,13H2,1-2H3
InChIKeyRWYNTLXKDDDPFX-UHFFFAOYSA-N
XLogP1.66
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(butan-2-ylamino)ethoxy]cyclohexan-1-amine?
The IUPAC name of 4-[2-(butan-2-ylamino)ethoxy]cyclohexan-1-amine (CID 79678630) is 4-[2-(butan-2-ylamino)ethoxy]cyclohexan-1-amine.
What is the SMILES notation for 4-[2-(butan-2-ylamino)ethoxy]cyclohexan-1-amine?
The canonical SMILES for 4-[2-(butan-2-ylamino)ethoxy]cyclohexan-1-amine is CCC(C)NCCOC1CCC(N)CC1.
What is the InChIKey of 4-[2-(butan-2-ylamino)ethoxy]cyclohexan-1-amine?
The InChIKey is RWYNTLXKDDDPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-10(2)14-8-9-15-12-6-4-11(13)5-7-12/h10-12,14H,3-9,13H2,1-2H3.
What are the key properties of 4-[2-(butan-2-ylamino)ethoxy]cyclohexan-1-amine?
4-[2-(butan-2-ylamino)ethoxy]cyclohexan-1-amine has a molecular weight of 214.35 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(butan-2-ylamino)ethoxy]cyclohexan-1-amine is sourced from PubChem (CID 79678630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).