carbonic acid;3-ethylpentan-3-amine;methanol

C9H23NO4 — CID 174474253

IUPACcarbonic acid;3-ethylpentan-3-amine;methanol
SMILESCCC(N)(CC)CC.CO.O=C(O)O
InChIInChI=1S/C7H17N.CH2O3.CH4O/c1-4-7(8,5-2)6-3;2-1(3)4;1-2/h4-6,8H2,1-3H3;(H2,2,3,4);2H,1H3
InChIKeyOPSAWVYWNYLMSM-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.74
Rot. Bonds3

About carbonic acid;3-ethylpentan-3-amine;methanol

carbonic acid;3-ethylpentan-3-amine;methanol (PubChem CID 174474253) has the molecular formula C9H23NO4 and a molecular weight of 209.29 g/mol. Its IUPAC name is carbonic acid;3-ethylpentan-3-amine;methanol.

Molecular Properties

Compound Namecarbonic acid;3-ethylpentan-3-amine;methanol
PubChem CID174474253
Molecular FormulaC9H23NO4
Molecular Weight209.29 g/mol
Exact Mass209.16
IUPAC Namecarbonic acid;3-ethylpentan-3-amine;methanol
SMILESCCC(N)(CC)CC.CO.O=C(O)O
InChIInChI=1S/C7H17N.CH2O3.CH4O/c1-4-7(8,5-2)6-3;2-1(3)4;1-2/h4-6,8H2,1-3H3;(H2,2,3,4);2H,1H3
InChIKeyOPSAWVYWNYLMSM-UHFFFAOYSA-N
XLogP1.74
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethylpentan-3-amine;sulfane;tungsten
CID 11450352
3-ethylpentan-3-amine;phosphane;hexahydrofluoride
CID 173156412
(2S)-2-amino-2-methylbutanoic acid
CID 6971276
carbonic acid;propane
CID 87396872
3-amino-3-(methoxymethyl)pentanoic acid
CID 64665153
carbonic acid;europium;gadolinium
CID 174896810
(2S)-2-amino-2-methylbutanoic acid;sulfuric acid
CID 175752113
1-aminopropane-1,1-diol;butanedioic acid
CID 175193728
2-amino-2-sulfanylbutanoic acid
CID 18369133
2-amino-2-iodobutanoic acid
CID 19595827
2-amino-2-methylpropan-1-ol;carbonic acid
CID 21330274
difluoro hydrogen phosphate;3-ethylpentan-3-amine
CID 175262518

Frequently Asked Questions

What is the IUPAC name of carbonic acid;3-ethylpentan-3-amine;methanol?
The IUPAC name of carbonic acid;3-ethylpentan-3-amine;methanol (CID 174474253) is carbonic acid;3-ethylpentan-3-amine;methanol.
What is the SMILES notation for carbonic acid;3-ethylpentan-3-amine;methanol?
The canonical SMILES for carbonic acid;3-ethylpentan-3-amine;methanol is CCC(N)(CC)CC.CO.O=C(O)O.
What is the InChIKey of carbonic acid;3-ethylpentan-3-amine;methanol?
The InChIKey is OPSAWVYWNYLMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N.CH2O3.CH4O/c1-4-7(8,5-2)6-3;2-1(3)4;1-2/h4-6,8H2,1-3H3;(H2,2,3,4);2H,1H3.
What are the key properties of carbonic acid;3-ethylpentan-3-amine;methanol?
carbonic acid;3-ethylpentan-3-amine;methanol has a molecular weight of 209.29 g/mol, XLogP of 1.74, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;3-ethylpentan-3-amine;methanol is sourced from PubChem (CID 174474253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).