1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxylic acid

C17H34N2O2 — CID 107871020

IUPAC1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(C)CCN(CCC(C)C)C1CCCC(N)(C(=O)O)C1
InChIInChI=1S/C17H34N2O2/c1-13(2)7-10-19(11-8-14(3)4)15-6-5-9-17(18,12-15)16(20)21/h13-15H,5-12,18H2,1-4H3,(H,20,21)
InChIKeyFULWHXGZPCVTPG-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.11
Rot. Bonds8

About 1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxylic acid

1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 107871020) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxylic acid
PubChem CID107871020
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(C)CCN(CCC(C)C)C1CCCC(N)(C(=O)O)C1
InChIInChI=1S/C17H34N2O2/c1-13(2)7-10-19(11-8-14(3)4)15-6-5-9-17(18,12-15)16(20)21/h13-15H,5-12,18H2,1-4H3,(H,20,21)
InChIKeyFULWHXGZPCVTPG-UHFFFAOYSA-N
XLogP3.11
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxamide
CID 107870991
1-amino-3-[2-methoxyethyl(2-methylpropyl)amino]cyclohexane-1-carboxylic acid
CID 79641945
1-amino-3-[propan-2-yl(propyl)amino]cyclohexane-1-carboxylic acid
CID 79636910
1-amino-3-(dimethylamino)cyclohexane-1-carboxylic acid
CID 79636513
1-amino-3-[methyl(2-methylpropyl)amino]cyclopentane-1-carboxylic acid
CID 79650269
1-amino-3-[ethyl(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid
CID 79641683
1-amino-3-[cyclopropyl(propyl)amino]cyclohexane-1-carboxylic acid
CID 79636531
1-amino-3-[cyclopropyl(ethyl)amino]cyclohexane-1-carboxylic acid
CID 79636761
1-amino-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carboxamide
CID 79641958
[1-amino-3-[bis(2-methylpropyl)amino]cyclohexyl]methanol
CID 79640620
1-amino-3-[cyclohexyl(methyl)amino]cyclopentane-1-carboxylic acid
CID 79650265
3-[cyclohexyl(3-methylbutyl)amino]propanoic acid
CID 82328845

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxylic acid (CID 107871020) is 1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxylic acid is CC(C)CCN(CCC(C)C)C1CCCC(N)(C(=O)O)C1.
What is the InChIKey of 1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is FULWHXGZPCVTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-13(2)7-10-19(11-8-14(3)4)15-6-5-9-17(18,12-15)16(20)21/h13-15H,5-12,18H2,1-4H3,(H,20,21).
What are the key properties of 1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxylic acid?
1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 298.47 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 107871020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).