3-(propan-2-ylamino)propyl N,N-dimethylcarbamate

C9H20N2O2 — CID 79338449

IUPAC3-(propan-2-ylamino)propyl N,N-dimethylcarbamate
SMILESCC(C)NCCCOC(=O)N(C)C
InChIInChI=1S/C9H20N2O2/c1-8(2)10-6-5-7-13-9(12)11(3)4/h8,10H,5-7H2,1-4H3
InChIKeyYJHDONODPBCTPD-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.07
Rot. Bonds5

About 3-(propan-2-ylamino)propyl N,N-dimethylcarbamate

3-(propan-2-ylamino)propyl N,N-dimethylcarbamate (PubChem CID 79338449) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-(propan-2-ylamino)propyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name3-(propan-2-ylamino)propyl N,N-dimethylcarbamate
PubChem CID79338449
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name3-(propan-2-ylamino)propyl N,N-dimethylcarbamate
SMILESCC(C)NCCCOC(=O)N(C)C
InChIInChI=1S/C9H20N2O2/c1-8(2)10-6-5-7-13-9(12)11(3)4/h8,10H,5-7H2,1-4H3
InChIKeyYJHDONODPBCTPD-UHFFFAOYSA-N
XLogP1.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(propan-2-ylamino)propyl N-tert-butylcarbamate
CID 79337530
O-[3-(propan-2-ylamino)propyl]hydroxylamine
CID 143003444
2-propan-2-yloxyethyl N,N-dimethylcarbamate
CID 172528660
heptyl N,N-dimethylcarbamate
CID 91542338
dotriacontyl N,N-dimethylcarbamate
CID 175802283
2-[3-(propan-2-ylamino)propoxy]propanoic acid
CID 106939688
3-(dimethylamino)butyl N,N-dimethylcarbamate
CID 10465092
4-methylpentyl 4-(propan-2-ylamino)butanoate
CID 61304079
hexyl 4-(propan-2-ylamino)butanoate
CID 61301912
tert-butyl N-methyl-N-[3-(propan-2-ylamino)propyl]carbamate
CID 86663469
2-(propan-2-ylamino)ethyl carbamate
CID 79338127
3-[(3E)-penta-1,3-dien-3-yl]oxy-N-propan-2-ylpropan-1-amine
CID 144694237

Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylamino)propyl N,N-dimethylcarbamate?
The IUPAC name of 3-(propan-2-ylamino)propyl N,N-dimethylcarbamate (CID 79338449) is 3-(propan-2-ylamino)propyl N,N-dimethylcarbamate.
What is the SMILES notation for 3-(propan-2-ylamino)propyl N,N-dimethylcarbamate?
The canonical SMILES for 3-(propan-2-ylamino)propyl N,N-dimethylcarbamate is CC(C)NCCCOC(=O)N(C)C.
What is the InChIKey of 3-(propan-2-ylamino)propyl N,N-dimethylcarbamate?
The InChIKey is YJHDONODPBCTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-8(2)10-6-5-7-13-9(12)11(3)4/h8,10H,5-7H2,1-4H3.
What are the key properties of 3-(propan-2-ylamino)propyl N,N-dimethylcarbamate?
3-(propan-2-ylamino)propyl N,N-dimethylcarbamate has a molecular weight of 188.27 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylamino)propyl N,N-dimethylcarbamate is sourced from PubChem (CID 79338449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).