N-(3-aminopropyl)-N-tert-butylcarbamate

C8H17N2O2- — CID 86608743

IUPACN-(3-aminopropyl)-N-tert-butylcarbamate
SMILESCC(C)(C)N(CCCN)C(=O)[O-]
InChIInChI=1S/C8H18N2O2/c1-8(2,3)10(7(11)12)6-4-5-9/h4-6,9H2,1-3H3,(H,11,12)/p-1
InChIKeyDUHCLIKVLHACNO-UHFFFAOYSA-M
MW173.24 g/mol
LogP-0.22
Rot. Bonds3

About N-(3-aminopropyl)-N-tert-butylcarbamate

N-(3-aminopropyl)-N-tert-butylcarbamate (PubChem CID 86608743) has the molecular formula C8H17N2O2- and a molecular weight of 173.24 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-tert-butylcarbamate.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-tert-butylcarbamate
PubChem CID86608743
Molecular FormulaC8H17N2O2-
Molecular Weight173.24 g/mol
Exact Mass173.13
IUPAC NameN-(3-aminopropyl)-N-tert-butylcarbamate
SMILESCC(C)(C)N(CCCN)C(=O)[O-]
InChIInChI=1S/C8H18N2O2/c1-8(2,3)10(7(11)12)6-4-5-9/h4-6,9H2,1-3H3,(H,11,12)/p-1
InChIKeyDUHCLIKVLHACNO-UHFFFAOYSA-M
XLogP-0.22
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dipotassium;2-[tert-butyl(carboxylato)amino]ethyl-trifluoroboranuide
CID 87169354
N-(4-aminobutyl)-N-tert-butyl-2-methylbutanamide
CID 89022443
N-tert-butyl-N-(3-hydroxypropyl)acetamide
CID 138079475
N-(2-amino-2-hydroxyiminoethyl)-N-tert-butylcarbamate
CID 131731323
N-tert-butyl-N-(7-oxo-8-phenyloctyl)carbamate
CID 71431538
N-(3-aminopropyl)-N-cyclohexyl-2,2-dimethylpropanamide
CID 43136880
1-(3-aminopropyl)-3-tert-butyl-1-cyclobutylurea
CID 102874239
N-(3-aminopropyl)-N-cycloheptyl-3,3-dimethylbutanamide
CID 43319428
3-[3-aminopropyl(methyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 104645222
2-(3,4-dimethoxyphenyl)ethyl N-(3-aminopropyl)-N-tert-butylcarbamate
CID 91263870
tert-butyl N-(3-aminopropyl)-N-(4-methylcyclohexyl)carbamate
CID 50987781
N-tert-butyl-N-[4-[[(2S)-2-hydroxy-3-methoxypropyl]-(propan-2-ylcarbamoyl)amino]butyl]carbamate
CID 86629847

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-tert-butylcarbamate?
The IUPAC name of N-(3-aminopropyl)-N-tert-butylcarbamate (CID 86608743) is N-(3-aminopropyl)-N-tert-butylcarbamate.
What is the SMILES notation for N-(3-aminopropyl)-N-tert-butylcarbamate?
The canonical SMILES for N-(3-aminopropyl)-N-tert-butylcarbamate is CC(C)(C)N(CCCN)C(=O)[O-].
What is the InChIKey of N-(3-aminopropyl)-N-tert-butylcarbamate?
The InChIKey is DUHCLIKVLHACNO-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H18N2O2/c1-8(2,3)10(7(11)12)6-4-5-9/h4-6,9H2,1-3H3,(H,11,12)/p-1.
What are the key properties of N-(3-aminopropyl)-N-tert-butylcarbamate?
N-(3-aminopropyl)-N-tert-butylcarbamate has a molecular weight of 173.24 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-tert-butylcarbamate is sourced from PubChem (CID 86608743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).