2-methylpropyl N-[[1-(aminomethyl)cyclopropyl]methyl]carbamate

C10H20N2O2 — CID 115456912

IUPAC2-methylpropyl N-[[1-(aminomethyl)cyclopropyl]methyl]carbamate
SMILESCC(C)COC(=O)NCC1(CN)CC1
InChIInChI=1S/C10H20N2O2/c1-8(2)5-14-9(13)12-7-10(6-11)3-4-10/h8H,3-7,11H2,1-2H3,(H,12,13)
InChIKeyHBSDMINTOOYOHJ-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.11
Rot. Bonds5

About 2-methylpropyl N-[[1-(aminomethyl)cyclopropyl]methyl]carbamate

2-methylpropyl N-[[1-(aminomethyl)cyclopropyl]methyl]carbamate (PubChem CID 115456912) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-methylpropyl N-[[1-(aminomethyl)cyclopropyl]methyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[[1-(aminomethyl)cyclopropyl]methyl]carbamate
PubChem CID115456912
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-methylpropyl N-[[1-(aminomethyl)cyclopropyl]methyl]carbamate
SMILESCC(C)COC(=O)NCC1(CN)CC1
InChIInChI=1S/C10H20N2O2/c1-8(2)5-14-9(13)12-7-10(6-11)3-4-10/h8H,3-7,11H2,1-2H3,(H,12,13)
InChIKeyHBSDMINTOOYOHJ-UHFFFAOYSA-N
XLogP1.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(ethoxycarbonylamino)-2,2-dimethylpropyl]carbamic acid ethyl ester
CID 257057
Isoamylurethan
CID 5195279
Carbamic acid, (2,2-diethyl-1,3-propylene)di-, diethyl ester
CID 44942
tert-butyl N-((1-(aminomethyl)cyclopropyl)methyl)carbamate
CID 70845887
ethyl N-(2,2-dimethylpropyl)carbamate
CID 269414
Isobutylcarbamate, N-isopentyl
CID 58371763
tert-butyl N-((1-((methylamino)methyl)cyclopropyl)methyl)carbamate
CID 115267407
Isobutylcarbamate, N-butyl
CID 4371746
ethyl N-(2-methylbutyl)carbamate
CID 53962184
2,2-dimethylpropyl N-(3-aminopropyl)carbamate
CID 87501755
butyl N-(3-methylbutyl)carbamate
CID 127502880
1,3-Diaminopropane, bis-isoBOC
CID 91749294

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[[1-(aminomethyl)cyclopropyl]methyl]carbamate?
The IUPAC name of 2-methylpropyl N-[[1-(aminomethyl)cyclopropyl]methyl]carbamate (CID 115456912) is 2-methylpropyl N-[[1-(aminomethyl)cyclopropyl]methyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[[1-(aminomethyl)cyclopropyl]methyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[[1-(aminomethyl)cyclopropyl]methyl]carbamate is CC(C)COC(=O)NCC1(CN)CC1.
What is the InChIKey of 2-methylpropyl N-[[1-(aminomethyl)cyclopropyl]methyl]carbamate?
The InChIKey is HBSDMINTOOYOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(2)5-14-9(13)12-7-10(6-11)3-4-10/h8H,3-7,11H2,1-2H3,(H,12,13).
What are the key properties of 2-methylpropyl N-[[1-(aminomethyl)cyclopropyl]methyl]carbamate?
2-methylpropyl N-[[1-(aminomethyl)cyclopropyl]methyl]carbamate has a molecular weight of 200.28 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[[1-(aminomethyl)cyclopropyl]methyl]carbamate is sourced from PubChem (CID 115456912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).