4-[[(2,2-dimethylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid

C16H29NO2 — CID 79852877

IUPAC4-[[(2,2-dimethylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC1(C)CCCCC1NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C16H29NO2/c1-16(2)10-4-3-5-14(16)17-11-12-6-8-13(9-7-12)15(18)19/h12-14,17H,3-11H2,1-2H3,(H,18,19)
InChIKeyWGGQQUQQTURDRL-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.44
Rot. Bonds4

About 4-[[(2,2-dimethylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid

4-[[(2,2-dimethylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 79852877) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 4-[[(2,2-dimethylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(2,2-dimethylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID79852877
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name4-[[(2,2-dimethylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC1(C)CCCCC1NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C16H29NO2/c1-16(2)10-4-3-5-14(16)17-11-12-6-8-13(9-7-12)15(18)19/h12-14,17H,3-11H2,1-2H3,(H,18,19)
InChIKeyWGGQQUQQTURDRL-UHFFFAOYSA-N
XLogP3.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cycloheptylmethyl)-2,2-dimethylcyclohexan-1-amine
CID 79860846
N-(cyclooctylmethyl)-2,2-dimethylcyclopentan-1-amine
CID 114207760
2-(cyclopropylmethylamino)-N-(2,2-dimethylcyclohexyl)acetamide
CID 79878630
(1S)-N-[(1,1-dioxothian-4-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 97108411
4-[[(2,2-dimethylcyclopentyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499567
N-[(1,1-dioxothiolan-3-yl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79835884
2-[[(2,2-dimethylcyclohexyl)amino]methyl]cyclopentan-1-ol
CID 79836296
N-cyclopropyl-2-[(2,2-dimethylcyclohexyl)amino]acetamide
CID 79828295
2,2-dimethyl-N-(thiolan-3-ylmethyl)cyclohexan-1-amine
CID 107132224
2-[(2,2-dimethylcyclopentyl)amino]acetic acid
CID 79865200
2,2-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine
CID 79834755
N-(cyclohex-3-en-1-ylmethyl)-2,2-dimethylcyclohexan-1-amine
CID 79835364

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,2-dimethylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(2,2-dimethylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 79852877) is 4-[[(2,2-dimethylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(2,2-dimethylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(2,2-dimethylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid is CC1(C)CCCCC1NCC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[(2,2-dimethylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is WGGQQUQQTURDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-16(2)10-4-3-5-14(16)17-11-12-6-8-13(9-7-12)15(18)19/h12-14,17H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 4-[[(2,2-dimethylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid?
4-[[(2,2-dimethylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 267.41 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,2-dimethylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79852877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).