2-methylpropyl N-(3-amino-2-methylpropyl)carbamate

C9H20N2O2 — CID 62665542

IUPAC2-methylpropyl N-(3-amino-2-methylpropyl)carbamate
SMILESCC(C)COC(=O)NCC(C)CN
InChIInChI=1S/C9H20N2O2/c1-7(2)6-13-9(12)11-5-8(3)4-10/h7-8H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyHNAUNQRTVFFDPB-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.96
Rot. Bonds5

About 2-methylpropyl N-(3-amino-2-methylpropyl)carbamate

2-methylpropyl N-(3-amino-2-methylpropyl)carbamate (PubChem CID 62665542) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-methylpropyl N-(3-amino-2-methylpropyl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(3-amino-2-methylpropyl)carbamate
PubChem CID62665542
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name2-methylpropyl N-(3-amino-2-methylpropyl)carbamate
SMILESCC(C)COC(=O)NCC(C)CN
InChIInChI=1S/C9H20N2O2/c1-7(2)6-13-9(12)11-5-8(3)4-10/h7-8H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyHNAUNQRTVFFDPB-UHFFFAOYSA-N
XLogP0.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl N-(2-hydroxypropyl)carbamate
CID 43427881
2-hydroxy-3-(2-methylpropoxycarbonylamino)propanoic acid
CID 66165028
2-methylpropyl N-(2-amino-3-hydroxybutyl)carbamate
CID 64541260
2-methylpropyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 115365837
2-[(2-methylpropoxycarbonylamino)methyl]butanoic acid
CID 65223783
2-methylpropyl N-[6-(2-methylpropoxycarbonylamino)hexyl]carbamate
CID 91749295
2-methylpropyl 2-(2-methylpropoxycarbonylamino)acetate
CID 6420840
2-amino-N-(3-amino-2-methylpropyl)acetamide
CID 130703152
[3-(ethylcarbamoyloxy)-2-methylpropyl] N-ethylcarbamate
CID 58493133
2-methylpropyl N-[2-(methylamino)ethyl]carbamate
CID 62658921
2-methylpropyl N-(2,2-dimethylpropyl)carbamate
CID 88893905
2-methylpropyl N-hydroxycarbamate
CID 22467

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(3-amino-2-methylpropyl)carbamate?
The IUPAC name of 2-methylpropyl N-(3-amino-2-methylpropyl)carbamate (CID 62665542) is 2-methylpropyl N-(3-amino-2-methylpropyl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(3-amino-2-methylpropyl)carbamate?
The canonical SMILES for 2-methylpropyl N-(3-amino-2-methylpropyl)carbamate is CC(C)COC(=O)NCC(C)CN.
What is the InChIKey of 2-methylpropyl N-(3-amino-2-methylpropyl)carbamate?
The InChIKey is HNAUNQRTVFFDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-7(2)6-13-9(12)11-5-8(3)4-10/h7-8H,4-6,10H2,1-3H3,(H,11,12).
What are the key properties of 2-methylpropyl N-(3-amino-2-methylpropyl)carbamate?
2-methylpropyl N-(3-amino-2-methylpropyl)carbamate has a molecular weight of 188.27 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(3-amino-2-methylpropyl)carbamate is sourced from PubChem (CID 62665542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).