tert-butyl N-(1-aminopropan-2-ylamino)carbamate

C8H19N3O2 — CID 107237265

IUPACtert-butyl N-(1-aminopropan-2-ylamino)carbamate
SMILESCC(CN)NNC(=O)OC(C)(C)C
InChIInChI=1S/C8H19N3O2/c1-6(5-9)10-11-7(12)13-8(2,3)4/h6,10H,5,9H2,1-4H3,(H,11,12)
InChIKeyNOYIKUQSMJALAI-UHFFFAOYSA-N
MW189.26 g/mol
LogP0.36
Rot. Bonds3

About tert-butyl N-(1-aminopropan-2-ylamino)carbamate

tert-butyl N-(1-aminopropan-2-ylamino)carbamate (PubChem CID 107237265) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is tert-butyl N-(1-aminopropan-2-ylamino)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-aminopropan-2-ylamino)carbamate
PubChem CID107237265
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC Nametert-butyl N-(1-aminopropan-2-ylamino)carbamate
SMILESCC(CN)NNC(=O)OC(C)(C)C
InChIInChI=1S/C8H19N3O2/c1-6(5-9)10-11-7(12)13-8(2,3)4/h6,10H,5,9H2,1-4H3,(H,11,12)
InChIKeyNOYIKUQSMJALAI-UHFFFAOYSA-N
XLogP0.36
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(1-ethylsulfonylpropan-2-ylamino)carbamate
CID 107237362
tert-butyl N-[(4-methoxy-4-methylpentan-2-yl)amino]carbamate
CID 107236759
tert-butyl N-[(4-hydroxy-3-methylbutan-2-yl)amino]carbamate
CID 174652881
tert-butyl N-(2-methylpentan-3-ylamino)carbamate
CID 107237291
tert-butyl N-(1-butoxypropan-2-ylamino)carbamate
CID 172695076
tert-butyl N-[3-(1-aminopropan-2-ylamino)propyl]carbamate
CID 107241253
tert-butyl N-[(1S)-1,2-diaminoethyl]carbamate
CID 95800069
tert-butyl N-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]carbamate
CID 54105539
tert-butyl N-[3-amino-2-[2-methylpropyl(propan-2-yl)amino]propyl]carbamate
CID 102729846
tert-butyl N-[4-(furan-2-yl)butan-2-ylamino]carbamate
CID 107237322
ditert-butyl 2-amino-3-(aminomethyl)butanedioate
CID 154956810
tert-butyl N-[(2S)-1-(2-aminoethoxy)propan-2-yl]carbamate
CID 155098755

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-aminopropan-2-ylamino)carbamate?
The IUPAC name of tert-butyl N-(1-aminopropan-2-ylamino)carbamate (CID 107237265) is tert-butyl N-(1-aminopropan-2-ylamino)carbamate.
What is the SMILES notation for tert-butyl N-(1-aminopropan-2-ylamino)carbamate?
The canonical SMILES for tert-butyl N-(1-aminopropan-2-ylamino)carbamate is CC(CN)NNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1-aminopropan-2-ylamino)carbamate?
The InChIKey is NOYIKUQSMJALAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2/c1-6(5-9)10-11-7(12)13-8(2,3)4/h6,10H,5,9H2,1-4H3,(H,11,12).
What are the key properties of tert-butyl N-(1-aminopropan-2-ylamino)carbamate?
tert-butyl N-(1-aminopropan-2-ylamino)carbamate has a molecular weight of 189.26 g/mol, XLogP of 0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-aminopropan-2-ylamino)carbamate is sourced from PubChem (CID 107237265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).