carbonic acid;cyclopropanamine

C17H38N4O15 — CID 70000861

IUPACcarbonic acid;cyclopropanamine
SMILESNC1CC1.NC1CC1.NC1CC1.NC1CC1.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O
InChIInChI=1S/4C3H7N.5CH2O3/c4*4-3-1-2-3;5*2-1(3)4/h4*3H,1-2,4H2;5*(H2,2,3,4)
InChIKeyAYAPXAVVUGEIPL-UHFFFAOYSA-N
MW538.50 g/mol
LogP1.54
Rot. Bonds

About carbonic acid;cyclopropanamine

carbonic acid;cyclopropanamine (PubChem CID 70000861) has the molecular formula C17H38N4O15 and a molecular weight of 538.50 g/mol. Its IUPAC name is carbonic acid;cyclopropanamine.

Molecular Properties

Compound Namecarbonic acid;cyclopropanamine
PubChem CID70000861
Molecular FormulaC17H38N4O15
Molecular Weight538.50 g/mol
Exact Mass538.23
IUPAC Namecarbonic acid;cyclopropanamine
SMILESNC1CC1.NC1CC1.NC1CC1.NC1CC1.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O
InChIInChI=1S/4C3H7N.5CH2O3/c4*4-3-1-2-3;5*2-1(3)4/h4*3H,1-2,4H2;5*(H2,2,3,4)
InChIKeyAYAPXAVVUGEIPL-UHFFFAOYSA-N
XLogP1.54
TPSA391.73 Ų
H-Bond Donors14
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.50
LogP ≤ 51.54
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 109

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Related Compounds

carbonic acid;cyclohexane-1,3-diamine
CID 67563163
cyclopropanamine;bis(2,2,2-trifluoroacetic acid)
CID 162300046
(1,2,3-13C3)cyclopropanamine
CID 76972988
cyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid
CID 68531631
acetic acid;piperidin-4-amine
CID 172796704
cyclopropanamine;cyclopropanol
CID 67718225
4-amino-1-hydroxycyclohexane-1-carboxylic acid;hydrochloride
CID 66728658
amino-(4-aminocyclohexyl)carbamic acid
CID 151916976
4-amino-1-fluorocyclohexane-1-carboxylic acid
CID 71757909
4-aminocyclohexane-1-carbonyl iodide
CID 147089625
4-aminocyclohexane-1-carboxamide;dihydrochloride
CID 89303150
cyclohexane-1,4-diamine;platinum(4+);diacetate;dichloride
CID 10051603

Frequently Asked Questions

What is the IUPAC name of carbonic acid;cyclopropanamine?
The IUPAC name of carbonic acid;cyclopropanamine (CID 70000861) is carbonic acid;cyclopropanamine.
What is the SMILES notation for carbonic acid;cyclopropanamine?
The canonical SMILES for carbonic acid;cyclopropanamine is NC1CC1.NC1CC1.NC1CC1.NC1CC1.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.
What is the InChIKey of carbonic acid;cyclopropanamine?
The InChIKey is AYAPXAVVUGEIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/4C3H7N.5CH2O3/c4*4-3-1-2-3;5*2-1(3)4/h4*3H,1-2,4H2;5*(H2,2,3,4).
What are the key properties of carbonic acid;cyclopropanamine?
carbonic acid;cyclopropanamine has a molecular weight of 538.50 g/mol, XLogP of 1.54, 0 rotatable bonds, 14 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;cyclopropanamine is sourced from PubChem (CID 70000861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).