carbonic acid;1,2-dimethylcyclohexan-1-amine

C9H19NO3 — CID 173050882

IUPACcarbonic acid;1,2-dimethylcyclohexan-1-amine
SMILESCC1CCCCC1(C)N.O=C(O)O
InChIInChI=1S/C8H17N.CH2O3/c1-7-5-3-4-6-8(7,2)9;2-1(3)4/h7H,3-6,9H2,1-2H3;(H2,2,3,4)
InChIKeyNGLMWYKXMRHHBO-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.14
Rot. Bonds

About carbonic acid;1,2-dimethylcyclohexan-1-amine

carbonic acid;1,2-dimethylcyclohexan-1-amine (PubChem CID 173050882) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is carbonic acid;1,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Namecarbonic acid;1,2-dimethylcyclohexan-1-amine
PubChem CID173050882
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Namecarbonic acid;1,2-dimethylcyclohexan-1-amine
SMILESCC1CCCCC1(C)N.O=C(O)O
InChIInChI=1S/C8H17N.CH2O3/c1-7-5-3-4-6-8(7,2)9;2-1(3)4/h7H,3-6,9H2,1-2H3;(H2,2,3,4)
InChIKeyNGLMWYKXMRHHBO-UHFFFAOYSA-N
XLogP2.14
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

carbamic acid;1,2-dimethylcyclohexan-1-amine
CID 175425918
benzoic acid;1,2-dimethylcyclohexan-1-amine
CID 173305473
1,2-dimethylcyclopentan-1-amine;hydrochloride
CID 146050243
dibutylcarbamothioic S-acid;1,2-dimethylcyclohexan-1-amine
CID 173387095
1,2-dimethylcyclohexan-1-amine;4-methylmorpholine
CID 67592701
(1R)-1,2-dimethylcyclobutan-1-amine
CID 147198625
2-methylcyclohexane-1,1-diamine;pentanedioic acid
CID 175047098
(3aR,7aS)-3a-methyl-1,2,3,4,5,6,7,7a-octahydroindene-1-carboxylic acid
CID 15322398
1,2-dimethylcyclobutan-1-amine;formic acid
CID 175124192
trans-methyl (1R,2R)-2-amino-2-methylcyclohexane-1-carboxylate
CID 96839903
1-[(2,2-dimethylcyclopropyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 115000314
methanol;1,1,2-trimethylcyclohexane
CID 70292509

Frequently Asked Questions

What is the IUPAC name of carbonic acid;1,2-dimethylcyclohexan-1-amine?
The IUPAC name of carbonic acid;1,2-dimethylcyclohexan-1-amine (CID 173050882) is carbonic acid;1,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for carbonic acid;1,2-dimethylcyclohexan-1-amine?
The canonical SMILES for carbonic acid;1,2-dimethylcyclohexan-1-amine is CC1CCCCC1(C)N.O=C(O)O.
What is the InChIKey of carbonic acid;1,2-dimethylcyclohexan-1-amine?
The InChIKey is NGLMWYKXMRHHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.CH2O3/c1-7-5-3-4-6-8(7,2)9;2-1(3)4/h7H,3-6,9H2,1-2H3;(H2,2,3,4).
What are the key properties of carbonic acid;1,2-dimethylcyclohexan-1-amine?
carbonic acid;1,2-dimethylcyclohexan-1-amine has a molecular weight of 189.25 g/mol, XLogP of 2.14, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;1,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 173050882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).