carbonic acid;cyclohexane-1,3-diamine

C7H16N2O3 — CID 67563163

IUPACcarbonic acid;cyclohexane-1,3-diamine
SMILESNC1CCCC(N)C1.O=C(O)O
InChIInChI=1S/C6H14N2.CH2O3/c7-5-2-1-3-6(8)4-5;2-1(3)4/h5-6H,1-4,7-8H2;(H2,2,3,4)
InChIKeyDZUWRKSRWQDMCA-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.44
Rot. Bonds

About carbonic acid;cyclohexane-1,3-diamine

carbonic acid;cyclohexane-1,3-diamine (PubChem CID 67563163) has the molecular formula C7H16N2O3 and a molecular weight of 176.22 g/mol. Its IUPAC name is carbonic acid;cyclohexane-1,3-diamine.

Molecular Properties

Compound Namecarbonic acid;cyclohexane-1,3-diamine
PubChem CID67563163
Molecular FormulaC7H16N2O3
Molecular Weight176.22 g/mol
Exact Mass176.12
IUPAC Namecarbonic acid;cyclohexane-1,3-diamine
SMILESNC1CCCC(N)C1.O=C(O)O
InChIInChI=1S/C6H14N2.CH2O3/c7-5-2-1-3-6(8)4-5;2-1(3)4/h5-6H,1-4,7-8H2;(H2,2,3,4)
InChIKeyDZUWRKSRWQDMCA-UHFFFAOYSA-N
XLogP0.44
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-aminocyclohexane-1-carboxylic acid
CID 67383005
carbonic acid;cyclopropanamine
CID 70000861
1-[(1S,3S)-3-aminocyclohexyl]ethanone
CID 98010319
3-aminocyclododecane-1-carboxylic acid
CID 71162813
[(3S)-3-aminocyclohexyl]methanol
CID 131334541
2-[(3-aminocyclohexyl)amino]-2-oxoacetic acid
CID 130620105
[(1R,3S)-3-aminocyclohexyl]-tert-butylcarbamic acid
CID 67070328
4-(3-aminocyclohexyl)piperidine-1-carboxylic acid
CID 175254803
1-[(1S,3S)-3-aminocyclohexyl]prop-2-en-1-one
CID 178194048
1-[(1R,3S)-3-aminocyclohexyl]prop-2-en-1-one
CID 178190936
2-(3-aminocyclohexyl)-2-hydroxyacetamide
CID 146666883
(2S)-2-[(1R,3R)-3-aminocyclohexyl]-2-hydroxyacetamide
CID 146666897

Frequently Asked Questions

What is the IUPAC name of carbonic acid;cyclohexane-1,3-diamine?
The IUPAC name of carbonic acid;cyclohexane-1,3-diamine (CID 67563163) is carbonic acid;cyclohexane-1,3-diamine.
What is the SMILES notation for carbonic acid;cyclohexane-1,3-diamine?
The canonical SMILES for carbonic acid;cyclohexane-1,3-diamine is NC1CCCC(N)C1.O=C(O)O.
What is the InChIKey of carbonic acid;cyclohexane-1,3-diamine?
The InChIKey is DZUWRKSRWQDMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.CH2O3/c7-5-2-1-3-6(8)4-5;2-1(3)4/h5-6H,1-4,7-8H2;(H2,2,3,4).
What are the key properties of carbonic acid;cyclohexane-1,3-diamine?
carbonic acid;cyclohexane-1,3-diamine has a molecular weight of 176.22 g/mol, XLogP of 0.44, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;cyclohexane-1,3-diamine is sourced from PubChem (CID 67563163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).