3-methyl-1-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine

C14H29NO — CID 62594693

IUPAC3-methyl-1-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine
SMILESCC(C)CCOCCC1(N)CCCC(C)C1
InChIInChI=1S/C14H29NO/c1-12(2)6-9-16-10-8-14(15)7-4-5-13(3)11-14/h12-13H,4-11,15H2,1-3H3
InChIKeyUTXKHYYYECWXFV-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.35
Rot. Bonds6

About 3-methyl-1-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine

3-methyl-1-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine (PubChem CID 62594693) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-methyl-1-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-1-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine
PubChem CID62594693
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-methyl-1-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine
SMILESCC(C)CCOCCC1(N)CCCC(C)C1
InChIInChI=1S/C14H29NO/c1-12(2)6-9-16-10-8-14(15)7-4-5-13(3)11-14/h12-13H,4-11,15H2,1-3H3
InChIKeyUTXKHYYYECWXFV-UHFFFAOYSA-N
XLogP3.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.35
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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine?
The IUPAC name of 3-methyl-1-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine (CID 62594693) is 3-methyl-1-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-1-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine?
The canonical SMILES for 3-methyl-1-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine is CC(C)CCOCCC1(N)CCCC(C)C1.
What is the InChIKey of 3-methyl-1-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine?
The InChIKey is UTXKHYYYECWXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-12(2)6-9-16-10-8-14(15)7-4-5-13(3)11-14/h12-13H,4-11,15H2,1-3H3.
What are the key properties of 3-methyl-1-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine?
3-methyl-1-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 62594693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).