tert-butyl N-methyl-N-[3-(propan-2-ylamino)propyl]carbamate

C12H26N2O2 — CID 86663469

IUPACtert-butyl N-methyl-N-[3-(propan-2-ylamino)propyl]carbamate
SMILESCC(C)NCCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-10(2)13-8-7-9-14(6)11(15)16-12(3,4)5/h10,13H,7-9H2,1-6H3
InChIKeyCNDGPGNCCGUBJD-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.24
Rot. Bonds5

About tert-butyl N-methyl-N-[3-(propan-2-ylamino)propyl]carbamate

tert-butyl N-methyl-N-[3-(propan-2-ylamino)propyl]carbamate (PubChem CID 86663469) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[3-(propan-2-ylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[3-(propan-2-ylamino)propyl]carbamate
PubChem CID86663469
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Nametert-butyl N-methyl-N-[3-(propan-2-ylamino)propyl]carbamate
SMILESCC(C)NCCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-10(2)13-8-7-9-14(6)11(15)16-12(3,4)5/h10,13H,7-9H2,1-6H3
InChIKeyCNDGPGNCCGUBJD-UHFFFAOYSA-N
XLogP2.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.24
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

tert-butyl N-methyl-N-[4-(propan-2-ylamino)butyl]carbamate
CID 58244816
tert-butyl N-methyl-N-[3-(pentan-2-ylamino)propyl]carbamate
CID 103781231
2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propylamino]butanoic acid
CID 107242134
tert-butyl N-[3-[(1-methoxy-3-methylbutan-2-yl)amino]propyl]-N-methylcarbamate
CID 103781260
tert-butyl N-[3-[1-(furan-2-yl)ethylamino]propyl]-N-methylcarbamate
CID 103781251
tert-butyl N-(4-hydroxypentyl)-N-methylcarbamate
CID 23122203
tert-butyl N-[3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]propyl]-N-methylcarbamate
CID 73056972
tert-butyl N-[2-(butan-2-ylamino)ethyl]-N-methylcarbamate
CID 115716335
tert-butyl N-[3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propyl]-N-methylcarbamate
CID 103830765
tert-butyl N-[3-[1-(2-chlorophenyl)ethylamino]propyl]-N-methylcarbamate
CID 107242245
tert-butyl N-[3-[(3-methoxy-2-methylpropyl)amino]propyl]-N-methylcarbamate
CID 102672051
tert-butyl N-[3-(hexylamino)propyl]-N-methylcarbamate
CID 107242003

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[3-(propan-2-ylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[3-(propan-2-ylamino)propyl]carbamate (CID 86663469) is tert-butyl N-methyl-N-[3-(propan-2-ylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[3-(propan-2-ylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[3-(propan-2-ylamino)propyl]carbamate is CC(C)NCCCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[3-(propan-2-ylamino)propyl]carbamate?
The InChIKey is CNDGPGNCCGUBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-10(2)13-8-7-9-14(6)11(15)16-12(3,4)5/h10,13H,7-9H2,1-6H3.
What are the key properties of tert-butyl N-methyl-N-[3-(propan-2-ylamino)propyl]carbamate?
tert-butyl N-methyl-N-[3-(propan-2-ylamino)propyl]carbamate has a molecular weight of 230.35 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[3-(propan-2-ylamino)propyl]carbamate is sourced from PubChem (CID 86663469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).