tert-butyl N-[3-[(3-methoxy-2-methylpropyl)amino]propyl]-N-methylcarbamate

C14H30N2O3 — CID 102672051

IUPACtert-butyl N-[3-[(3-methoxy-2-methylpropyl)amino]propyl]-N-methylcarbamate
SMILESCOCC(C)CNCCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H30N2O3/c1-12(11-18-6)10-15-8-7-9-16(5)13(17)19-14(2,3)4/h12,15H,7-11H2,1-6H3
InChIKeyUHMADMLSUUHLQO-UHFFFAOYSA-N
MW274.40 g/mol
LogP2.12
Rot. Bonds8

About tert-butyl N-[3-[(3-methoxy-2-methylpropyl)amino]propyl]-N-methylcarbamate

tert-butyl N-[3-[(3-methoxy-2-methylpropyl)amino]propyl]-N-methylcarbamate (PubChem CID 102672051) has the molecular formula C14H30N2O3 and a molecular weight of 274.40 g/mol. Its IUPAC name is tert-butyl N-[3-[(3-methoxy-2-methylpropyl)amino]propyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(3-methoxy-2-methylpropyl)amino]propyl]-N-methylcarbamate
PubChem CID102672051
Molecular FormulaC14H30N2O3
Molecular Weight274.40 g/mol
Exact Mass274.23
IUPAC Nametert-butyl N-[3-[(3-methoxy-2-methylpropyl)amino]propyl]-N-methylcarbamate
SMILESCOCC(C)CNCCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H30N2O3/c1-12(11-18-6)10-15-8-7-9-16(5)13(17)19-14(2,3)4/h12,15H,7-11H2,1-6H3
InChIKeyUHMADMLSUUHLQO-UHFFFAOYSA-N
XLogP2.12
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(2-hydroxypropyl)-N-[2-[(3-methoxy-2-methylpropyl)amino]ethyl]carbamate
CID 107257320
tert-butyl N-ethyl-N-[2-[(3-methoxy-2-methylpropyl)amino]ethyl]carbamate
CID 102671978
tert-butyl N-[3-[(1-methoxy-3-methylbutan-2-yl)amino]propyl]-N-methylcarbamate
CID 103781260
tert-butyl N-methyl-N-[3-(propan-2-ylamino)propyl]carbamate
CID 86663469
tert-butyl N-[3-(hexylamino)propyl]-N-methylcarbamate
CID 107242003
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-[2-[[2-(aminomethyl)-3-methylbutyl]amino]ethyl]-N-methylcarbamate
CID 107442949
tert-butyl N-[4-[3-[ethenyl(methyl)amino]propylamino]butyl]-N-methylcarbamate
CID 170112382
4-[(3-methoxy-2-methylpropyl)amino]butanamide
CID 116501150
tert-butyl N-(4-hydroxypentyl)-N-methylcarbamate
CID 23122203

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(3-methoxy-2-methylpropyl)amino]propyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[3-[(3-methoxy-2-methylpropyl)amino]propyl]-N-methylcarbamate (CID 102672051) is tert-butyl N-[3-[(3-methoxy-2-methylpropyl)amino]propyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[3-[(3-methoxy-2-methylpropyl)amino]propyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[3-[(3-methoxy-2-methylpropyl)amino]propyl]-N-methylcarbamate is COCC(C)CNCCCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[(3-methoxy-2-methylpropyl)amino]propyl]-N-methylcarbamate?
The InChIKey is UHMADMLSUUHLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3/c1-12(11-18-6)10-15-8-7-9-16(5)13(17)19-14(2,3)4/h12,15H,7-11H2,1-6H3.
What are the key properties of tert-butyl N-[3-[(3-methoxy-2-methylpropyl)amino]propyl]-N-methylcarbamate?
tert-butyl N-[3-[(3-methoxy-2-methylpropyl)amino]propyl]-N-methylcarbamate has a molecular weight of 274.40 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(3-methoxy-2-methylpropyl)amino]propyl]-N-methylcarbamate is sourced from PubChem (CID 102672051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).