carbonic acid;N-methylcyclohexanamine

C8H17NO3 — CID 67771503

IUPACcarbonic acid;N-methylcyclohexanamine
SMILESCNC1CCCCC1.O=C(O)O
InChIInChI=1S/C7H15N.CH2O3/c1-8-7-5-3-2-4-6-7;2-1(3)4/h7-8H,2-6H2,1H3;(H2,2,3,4)
InChIKeyVBFVBSRSUFRUBD-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.76
Rot. Bonds1

About carbonic acid;N-methylcyclohexanamine

carbonic acid;N-methylcyclohexanamine (PubChem CID 67771503) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is carbonic acid;N-methylcyclohexanamine.

Molecular Properties

Compound Namecarbonic acid;N-methylcyclohexanamine
PubChem CID67771503
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Namecarbonic acid;N-methylcyclohexanamine
SMILESCNC1CCCCC1.O=C(O)O
InChIInChI=1S/C7H15N.CH2O3/c1-8-7-5-3-2-4-6-7;2-1(3)4/h7-8H,2-6H2,1H3;(H2,2,3,4)
InChIKeyVBFVBSRSUFRUBD-UHFFFAOYSA-N
XLogP1.76
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;N-methylcyclohexanamine?
The IUPAC name of carbonic acid;N-methylcyclohexanamine (CID 67771503) is carbonic acid;N-methylcyclohexanamine.
What is the SMILES notation for carbonic acid;N-methylcyclohexanamine?
The canonical SMILES for carbonic acid;N-methylcyclohexanamine is CNC1CCCCC1.O=C(O)O.
What is the InChIKey of carbonic acid;N-methylcyclohexanamine?
The InChIKey is VBFVBSRSUFRUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.CH2O3/c1-8-7-5-3-2-4-6-7;2-1(3)4/h7-8H,2-6H2,1H3;(H2,2,3,4).
What are the key properties of carbonic acid;N-methylcyclohexanamine?
carbonic acid;N-methylcyclohexanamine has a molecular weight of 175.23 g/mol, XLogP of 1.76, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;N-methylcyclohexanamine is sourced from PubChem (CID 67771503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).