N-(3-methoxybutyl)-4-methylcyclohexan-1-amine

C12H25NO — CID 67490101

IUPACN-(3-methoxybutyl)-4-methylcyclohexan-1-amine
SMILESCOC(C)CCNC1CCC(C)CC1
InChIInChI=1S/C12H25NO/c1-10-4-6-12(7-5-10)13-9-8-11(2)14-3/h10-13H,4-9H2,1-3H3
InChIKeyYBCIDDXZYSZSQQ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds5

About N-(3-methoxybutyl)-4-methylcyclohexan-1-amine

N-(3-methoxybutyl)-4-methylcyclohexan-1-amine (PubChem CID 67490101) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-(3-methoxybutyl)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-methoxybutyl)-4-methylcyclohexan-1-amine
PubChem CID67490101
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-(3-methoxybutyl)-4-methylcyclohexan-1-amine
SMILESCOC(C)CCNC1CCC(C)CC1
InChIInChI=1S/C12H25NO/c1-10-4-6-12(7-5-10)13-9-8-11(2)14-3/h10-13H,4-9H2,1-3H3
InChIKeyYBCIDDXZYSZSQQ-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 54961861
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CID 61866442
CID 61866442
CID 64753621
CID 64753621
CID 64753821
CID 64753821
CID 64753871
CID 64753871
CID 64755261
CID 64755261
CID 64756275
CID 64756275
CID 64757078
CID 64757078
CID 64757652
CID 64757652

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxybutyl)-4-methylcyclohexan-1-amine?
The IUPAC name of N-(3-methoxybutyl)-4-methylcyclohexan-1-amine (CID 67490101) is N-(3-methoxybutyl)-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-(3-methoxybutyl)-4-methylcyclohexan-1-amine?
The canonical SMILES for N-(3-methoxybutyl)-4-methylcyclohexan-1-amine is COC(C)CCNC1CCC(C)CC1.
What is the InChIKey of N-(3-methoxybutyl)-4-methylcyclohexan-1-amine?
The InChIKey is YBCIDDXZYSZSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10-4-6-12(7-5-10)13-9-8-11(2)14-3/h10-13H,4-9H2,1-3H3.
What are the key properties of N-(3-methoxybutyl)-4-methylcyclohexan-1-amine?
N-(3-methoxybutyl)-4-methylcyclohexan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxybutyl)-4-methylcyclohexan-1-amine is sourced from PubChem (CID 67490101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).