1-(butan-2-ylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid

C16H31NO2 — CID 61024663

IUPAC1-(butan-2-ylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid
SMILESCCC(C)NC1(C(=O)O)CCC(C(C)(C)CC)CC1
InChIInChI=1S/C16H31NO2/c1-6-12(3)17-16(14(18)19)10-8-13(9-11-16)15(4,5)7-2/h12-13,17H,6-11H2,1-5H3,(H,18,19)
InChIKeyNAAJFUGZHMVJMV-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.82
Rot. Bonds6

About 1-(butan-2-ylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid

1-(butan-2-ylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid (PubChem CID 61024663) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-(butan-2-ylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(butan-2-ylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid
PubChem CID61024663
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name1-(butan-2-ylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid
SMILESCCC(C)NC1(C(=O)O)CCC(C(C)(C)CC)CC1
InChIInChI=1S/C16H31NO2/c1-6-12(3)17-16(14(18)19)10-8-13(9-11-16)15(4,5)7-2/h12-13,17H,6-11H2,1-5H3,(H,18,19)
InChIKeyNAAJFUGZHMVJMV-UHFFFAOYSA-N
XLogP3.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopropylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid
CID 43754485
1-(butan-2-ylamino)cyclohexane-1-carboxylic acid
CID 61024667
1-(butan-2-ylamino)cycloheptane-1-carboxylic acid
CID 61024147
1-(butan-2-ylamino)cyclododecane-1-carboxylic acid
CID 61024396
4-(butan-2-ylamino)-1-(dimethylcarbamoyl)piperidine-4-carboxylic acid
CID 83265484
1-(butan-2-ylamino)-3-methoxycyclobutane-1-carboxylic acid
CID 106822706
4-(2-methylbutan-2-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 60795512
1-(aminomethyl)-N-but-3-yn-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 114415888
1-[[2-(butan-2-ylamino)acetyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 61161182
methyl 1-(butan-2-ylamino)-4-ethylcyclohexane-1-carboxylate
CID 54908157
methyl 1-amino-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylate
CID 60797220
1-benzyl-4-(butan-2-ylamino)piperidine-4-carboxylic acid
CID 61024423

Frequently Asked Questions

What is the IUPAC name of 1-(butan-2-ylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(butan-2-ylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid (CID 61024663) is 1-(butan-2-ylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(butan-2-ylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(butan-2-ylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid is CCC(C)NC1(C(=O)O)CCC(C(C)(C)CC)CC1.
What is the InChIKey of 1-(butan-2-ylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid?
The InChIKey is NAAJFUGZHMVJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-6-12(3)17-16(14(18)19)10-8-13(9-11-16)15(4,5)7-2/h12-13,17H,6-11H2,1-5H3,(H,18,19).
What are the key properties of 1-(butan-2-ylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid?
1-(butan-2-ylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid has a molecular weight of 269.43 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butan-2-ylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61024663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).