1-(2-butoxyethyl)-4-methylcyclohexan-1-amine

C13H27NO — CID 62620295

IUPAC1-(2-butoxyethyl)-4-methylcyclohexan-1-amine
SMILESCCCCOCCC1(N)CCC(C)CC1
InChIInChI=1S/C13H27NO/c1-3-4-10-15-11-9-13(14)7-5-12(2)6-8-13/h12H,3-11,14H2,1-2H3
InChIKeyKCZHUJKFLZDDPP-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.10
Rot. Bonds6

About 1-(2-butoxyethyl)-4-methylcyclohexan-1-amine

1-(2-butoxyethyl)-4-methylcyclohexan-1-amine (PubChem CID 62620295) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-(2-butoxyethyl)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(2-butoxyethyl)-4-methylcyclohexan-1-amine
PubChem CID62620295
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-(2-butoxyethyl)-4-methylcyclohexan-1-amine
SMILESCCCCOCCC1(N)CCC(C)CC1
InChIInChI=1S/C13H27NO/c1-3-4-10-15-11-9-13(14)7-5-12(2)6-8-13/h12H,3-11,14H2,1-2H3
InChIKeyKCZHUJKFLZDDPP-UHFFFAOYSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.10
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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Related Compounds

1-(2-butoxyethyl)-2-methylcyclohexan-1-amine
CID 115001863
1-(2-fluoroethyl)-4-methylcyclohexan-1-amine
CID 130515363
1-[2-(3-methoxypropoxy)ethyl]cyclobutan-1-amine
CID 103184766
1,1-dibutyl-4-methylcyclohexane
CID 147112544
4-methyl-1-(3-phenoxypropyl)cyclohexan-1-amine
CID 55157069
1-(2-ethylhexyl)-4-methylcyclohexan-1-amine
CID 63407642
1-(2-butoxyethoxymethyl)cycloheptan-1-amine
CID 64548962
1-(aminomethyl)-4-methylcyclohexan-1-amine
CID 43519520
[1-(2-butoxyethyl)-4-ethylcyclohexyl]methanamine
CID 65394946
1,4-dibutylcyclohexane-1,4-diamine
CID 139996761
heptyl 1-amino-4-methylcyclohexane-1-carboxylate
CID 61302079
4-(aminomethyl)-1-pentylcyclohexan-1-amine
CID 69228724

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethyl)-4-methylcyclohexan-1-amine?
The IUPAC name of 1-(2-butoxyethyl)-4-methylcyclohexan-1-amine (CID 62620295) is 1-(2-butoxyethyl)-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(2-butoxyethyl)-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-(2-butoxyethyl)-4-methylcyclohexan-1-amine is CCCCOCCC1(N)CCC(C)CC1.
What is the InChIKey of 1-(2-butoxyethyl)-4-methylcyclohexan-1-amine?
The InChIKey is KCZHUJKFLZDDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-4-10-15-11-9-13(14)7-5-12(2)6-8-13/h12H,3-11,14H2,1-2H3.
What are the key properties of 1-(2-butoxyethyl)-4-methylcyclohexan-1-amine?
1-(2-butoxyethyl)-4-methylcyclohexan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethyl)-4-methylcyclohexan-1-amine is sourced from PubChem (CID 62620295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).