(1,2-dimethylcyclopropyl)carbamic acid;methanamine;N-methylprop-1-en-2-amine

C11H25N3O2 — CID 142053168

IUPAC(1,2-dimethylcyclopropyl)carbamic acid;methanamine;N-methylprop-1-en-2-amine
SMILESC=C(C)NC.CC1CC1(C)NC(=O)O.CN
InChIInChI=1S/C6H11NO2.C4H9N.CH5N/c1-4-3-6(4,2)7-5(8)9;1-4(2)5-3;1-2/h4,7H,3H2,1-2H3,(H,8,9);5H,1H2,2-3H3;2H2,1H3
InChIKeyHEEIHHNPURLQJT-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.37
Rot. Bonds2

About (1,2-dimethylcyclopropyl)carbamic acid;methanamine;N-methylprop-1-en-2-amine

(1,2-dimethylcyclopropyl)carbamic acid;methanamine;N-methylprop-1-en-2-amine (PubChem CID 142053168) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is (1,2-dimethylcyclopropyl)carbamic acid;methanamine;N-methylprop-1-en-2-amine.

Molecular Properties

Compound Name(1,2-dimethylcyclopropyl)carbamic acid;methanamine;N-methylprop-1-en-2-amine
PubChem CID142053168
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name(1,2-dimethylcyclopropyl)carbamic acid;methanamine;N-methylprop-1-en-2-amine
SMILESC=C(C)NC.CC1CC1(C)NC(=O)O.CN
InChIInChI=1S/C6H11NO2.C4H9N.CH5N/c1-4-3-6(4,2)7-5(8)9;1-4(2)5-3;1-2/h4,7H,3H2,1-2H3,(H,8,9);5H,1H2,2-3H3;2H2,1H3
InChIKeyHEEIHHNPURLQJT-UHFFFAOYSA-N
XLogP1.37
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2R)-1,2-dimethylcyclopropyl]amino]-2,2-dimethyl-3-oxopropanoic acid
CID 174018973
(2-amino-1-methylcyclopentyl)carbamic acid
CID 118024933
1,3-dimethyl-N-prop-1-en-2-ylcyclobutan-1-amine
CID 170641816
(1R)-1,2-dimethylcyclopropane-1-carboxylic acid
CID 69400955
3-amino-1-hydroxy-N-prop-1-en-2-ylcyclobutane-1-carboxamide
CID 89230347
2-methyl-1-(methylamino)cyclopropane-1-carboxylic acid
CID 4627778
2-[1-(methylamino)ethenyl]cyclopropane-1-carboxylic acid
CID 155310064
N-[(2R)-1-acetyl-2-methylcyclopropyl]acetamide
CID 143744019
1-(1-amino-2-methylcyclopropyl)ethanone
CID 22091718
methanamine;bis(N-methylacetamide);propan-2-one
CID 157204854
1-amino-N-prop-1-en-2-ylcyclopropane-1-carboxamide
CID 165408328
carbonic acid;1,1-dichloro-2-methylcyclopropane
CID 68873513

Frequently Asked Questions

What is the IUPAC name of (1,2-dimethylcyclopropyl)carbamic acid;methanamine;N-methylprop-1-en-2-amine?
The IUPAC name of (1,2-dimethylcyclopropyl)carbamic acid;methanamine;N-methylprop-1-en-2-amine (CID 142053168) is (1,2-dimethylcyclopropyl)carbamic acid;methanamine;N-methylprop-1-en-2-amine.
What is the SMILES notation for (1,2-dimethylcyclopropyl)carbamic acid;methanamine;N-methylprop-1-en-2-amine?
The canonical SMILES for (1,2-dimethylcyclopropyl)carbamic acid;methanamine;N-methylprop-1-en-2-amine is C=C(C)NC.CC1CC1(C)NC(=O)O.CN.
What is the InChIKey of (1,2-dimethylcyclopropyl)carbamic acid;methanamine;N-methylprop-1-en-2-amine?
The InChIKey is HEEIHHNPURLQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.C4H9N.CH5N/c1-4-3-6(4,2)7-5(8)9;1-4(2)5-3;1-2/h4,7H,3H2,1-2H3,(H,8,9);5H,1H2,2-3H3;2H2,1H3.
What are the key properties of (1,2-dimethylcyclopropyl)carbamic acid;methanamine;N-methylprop-1-en-2-amine?
(1,2-dimethylcyclopropyl)carbamic acid;methanamine;N-methylprop-1-en-2-amine has a molecular weight of 231.34 g/mol, XLogP of 1.37, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethylcyclopropyl)carbamic acid;methanamine;N-methylprop-1-en-2-amine is sourced from PubChem (CID 142053168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).