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

2-methylpropyl N-[1-(aminomethyl)cyclopentyl]carbamate
CID 63766538
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-propan-2-yloxyacetamide
CID 112604289
2-methylpropyl N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]carbamate
CID 65121479
[1-(aminomethyl)cyclopropyl]methylcarbamic acid
CID 89477777
2-methylpropyl N-(3-amino-2-methylpropyl)carbamate
CID 62665542
2-methylpropyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81161222
N-[[1-(aminomethyl)cyclopentyl]methyl]acetamide
CID 115365421
2-methylpropyl N-[6-(2-methylpropoxycarbonylamino)hexyl]carbamate
CID 91749295
2-methylpropyl 2-(2-methylpropoxycarbonylamino)acetate
CID 6420840
2-methylpropyl N-(2-hydroxypropyl)carbamate
CID 43427881
2-methylpropyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 115365837
2-methylpropyl N-[3-(methylamino)propyl]carbamate
CID 43602360

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).