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

C14H30N2O2 — CID 103781231

IUPACtert-butyl N-methyl-N-[3-(pentan-2-ylamino)propyl]carbamate
SMILESCCCC(C)NCCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H30N2O2/c1-7-9-12(2)15-10-8-11-16(6)13(17)18-14(3,4)5/h12,15H,7-11H2,1-6H3
InChIKeyXKQSNVZJUNMAFL-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.02
Rot. Bonds7

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

tert-butyl N-methyl-N-[3-(pentan-2-ylamino)propyl]carbamate (PubChem CID 103781231) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[3-(pentan-2-ylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[3-(pentan-2-ylamino)propyl]carbamate
PubChem CID103781231
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Nametert-butyl N-methyl-N-[3-(pentan-2-ylamino)propyl]carbamate
SMILESCCCC(C)NCCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H30N2O2/c1-7-9-12(2)15-10-8-11-16(6)13(17)18-14(3,4)5/h12,15H,7-11H2,1-6H3
InChIKeyXKQSNVZJUNMAFL-UHFFFAOYSA-N
XLogP3.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-methyl-N-[3-(pentan-2-ylamino)propyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-methyl-N-[3-(propan-2-ylamino)propyl]carbamate
CID 86663469
2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propylamino]butanoic acid
CID 107242134
tert-butyl N-methyl-N-[2-(5-methylhexan-2-ylamino)ethyl]carbamate
CID 103780595
tert-butyl N-methyl-N-[4-(propan-2-ylamino)butyl]carbamate
CID 58244816
tert-butyl N-[2-(butan-2-ylamino)ethyl]-N-methylcarbamate
CID 115716335
tert-butyl N-[3-(pentan-2-ylamino)propyl]carbamate
CID 81344324
tert-butyl N-[3-[(1-methoxy-3-methylbutan-2-yl)amino]propyl]-N-methylcarbamate
CID 103781260
tert-butyl N-[3-(hexylamino)propyl]-N-methylcarbamate
CID 107242003
tert-butyl N-methyl-N-(3-propylhexyl)carbamate
CID 139566665
tert-butyl N-(4-hydroxypentyl)-N-methylcarbamate
CID 23122203
tert-butyl 3-(pentan-2-ylamino)propanoate
CID 46318488
tert-butyl N-[3-[1-(2-chlorophenyl)ethylamino]propyl]-N-methylcarbamate
CID 107242245

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[3-(pentan-2-ylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[3-(pentan-2-ylamino)propyl]carbamate (CID 103781231) is tert-butyl N-methyl-N-[3-(pentan-2-ylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[3-(pentan-2-ylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[3-(pentan-2-ylamino)propyl]carbamate is CCCC(C)NCCCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[3-(pentan-2-ylamino)propyl]carbamate?
The InChIKey is XKQSNVZJUNMAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-7-9-12(2)15-10-8-11-16(6)13(17)18-14(3,4)5/h12,15H,7-11H2,1-6H3.
What are the key properties of tert-butyl N-methyl-N-[3-(pentan-2-ylamino)propyl]carbamate?
tert-butyl N-methyl-N-[3-(pentan-2-ylamino)propyl]carbamate has a molecular weight of 258.41 g/mol, XLogP of 3.02, 7 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-(pentan-2-ylamino)propyl]carbamate is sourced from PubChem (CID 103781231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).