carbonic acid;cyclohexylmethanamine

C8H17NO3 — CID 67545146

IUPACcarbonic acid;cyclohexylmethanamine
SMILESNCC1CCCCC1.O=C(O)O
InChIInChI=1S/C7H15N.CH2O3/c8-6-7-4-2-1-3-5-7;2-1(3)4/h7H,1-6,8H2;(H2,2,3,4)
InChIKeySMSBBHUUVDCNKK-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.75
Rot. Bonds1

About carbonic acid;cyclohexylmethanamine

carbonic acid;cyclohexylmethanamine (PubChem CID 67545146) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is carbonic acid;cyclohexylmethanamine.

Molecular Properties

Compound Namecarbonic acid;cyclohexylmethanamine
PubChem CID67545146
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Namecarbonic acid;cyclohexylmethanamine
SMILESNCC1CCCCC1.O=C(O)O
InChIInChI=1S/C7H15N.CH2O3/c8-6-7-4-2-1-3-5-7;2-1(3)4/h7H,1-6,8H2;(H2,2,3,4)
InChIKeySMSBBHUUVDCNKK-UHFFFAOYSA-N
XLogP1.75
TPSA83.55 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 ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

carbonyl dichloride;cyclopentylmethanamine
CID 175500513
cyclohexylmethanamine;methanol
CID 70430105
cyclohexylmethanamine;hydrochloride
CID 3039618
cyclohexylmethanamine;hydrobromide
CID 13001131
cyclohexanamine;cyclohexylmethanamine
CID 174974863
1-[4-(aminomethyl)piperidin-1-yl]-2-cycloheptylethanone;hydrochloride
CID 119423614
4-(aminomethyl)azepane-1-carboxylic acid
CID 175902283
cyclopentylmethyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 79525664
(3S)-3-(aminomethyl)cyclohexane-1-carboxylic acid
CID 172529377
trans-(1R,3R)-3-(aminomethyl)cyclohexane-1-carboxylic acid
CID 18632959
2-[4-(aminomethyl)cyclohexyl]-N-(cyclopentylmethyl)acetamide
CID 63613215
[4-(aminomethyl)cyclohexyl]methanamine
CID 158172497

Frequently Asked Questions

What is the IUPAC name of carbonic acid;cyclohexylmethanamine?
The IUPAC name of carbonic acid;cyclohexylmethanamine (CID 67545146) is carbonic acid;cyclohexylmethanamine.
What is the SMILES notation for carbonic acid;cyclohexylmethanamine?
The canonical SMILES for carbonic acid;cyclohexylmethanamine is NCC1CCCCC1.O=C(O)O.
What is the InChIKey of carbonic acid;cyclohexylmethanamine?
The InChIKey is SMSBBHUUVDCNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.CH2O3/c8-6-7-4-2-1-3-5-7;2-1(3)4/h7H,1-6,8H2;(H2,2,3,4).
What are the key properties of carbonic acid;cyclohexylmethanamine?
carbonic acid;cyclohexylmethanamine has a molecular weight of 175.23 g/mol, XLogP of 1.75, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;cyclohexylmethanamine is sourced from PubChem (CID 67545146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).