tert-butyl N-[2-[[2-(aminomethyl)-3-methylbutyl]amino]ethyl]-N-methylcarbamate

C14H31N3O2 — CID 107442949

IUPACtert-butyl N-[2-[[2-(aminomethyl)-3-methylbutyl]amino]ethyl]-N-methylcarbamate
SMILESCC(C)C(CN)CNCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H31N3O2/c1-11(2)12(9-15)10-16-7-8-17(6)13(18)19-14(3,4)5/h11-12,16H,7-10,15H2,1-6H3
InChIKeyYLZTWRKRCDZLAA-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.67
Rot. Bonds7

About tert-butyl N-[2-[[2-(aminomethyl)-3-methylbutyl]amino]ethyl]-N-methylcarbamate

tert-butyl N-[2-[[2-(aminomethyl)-3-methylbutyl]amino]ethyl]-N-methylcarbamate (PubChem CID 107442949) has the molecular formula C14H31N3O2 and a molecular weight of 273.42 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-(aminomethyl)-3-methylbutyl]amino]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[2-(aminomethyl)-3-methylbutyl]amino]ethyl]-N-methylcarbamate
PubChem CID107442949
Molecular FormulaC14H31N3O2
Molecular Weight273.42 g/mol
Exact Mass273.24
IUPAC Nametert-butyl N-[2-[[2-(aminomethyl)-3-methylbutyl]amino]ethyl]-N-methylcarbamate
SMILESCC(C)C(CN)CNCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H31N3O2/c1-11(2)12(9-15)10-16-7-8-17(6)13(18)19-14(3,4)5/h11-12,16H,7-10,15H2,1-6H3
InChIKeyYLZTWRKRCDZLAA-UHFFFAOYSA-N
XLogP1.67
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.67
H-Bond Donors ≤ 52
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-[3-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpropyl]-N-methylcarbamate
CID 107442955
tert-butyl N-methyl-N-[2-(propylamino)ethyl]carbamate
CID 89066320
3-[[2-(aminomethyl)-3-methylbutyl]amino]-N,N-dimethylpropanamide
CID 107441879
tert-butyl N-[1-[[2-(aminomethyl)-3-methylbutyl]amino]propan-2-yl]carbamate
CID 107442960
tert-butyl N-[2-(butan-2-ylamino)ethyl]-N-methylcarbamate
CID 115716335
tert-butyl N-[3-[(3-methoxy-2-methylpropyl)amino]propyl]-N-methylcarbamate
CID 102672051
tert-butyl N-[2-(cyclobutylmethylamino)ethyl]-N-methylcarbamate
CID 107245079
tert-butyl N-methyl-N-[3-(propan-2-ylamino)propyl]carbamate
CID 86663469
tert-butyl N-methyl-N-[2-(5-methylhexan-2-ylamino)ethyl]carbamate
CID 103780595
tert-butyl N-(3-amino-4,4-dimethylpentyl)-N-methylcarbamate
CID 155943485
tert-butyl N-methyl-N-[4-(propan-2-ylamino)butyl]carbamate
CID 58244816
tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethyl]-N-methylcarbamate
CID 172868636

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-(aminomethyl)-3-methylbutyl]amino]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[[2-(aminomethyl)-3-methylbutyl]amino]ethyl]-N-methylcarbamate (CID 107442949) is tert-butyl N-[2-[[2-(aminomethyl)-3-methylbutyl]amino]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[[2-(aminomethyl)-3-methylbutyl]amino]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[[2-(aminomethyl)-3-methylbutyl]amino]ethyl]-N-methylcarbamate is CC(C)C(CN)CNCCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[[2-(aminomethyl)-3-methylbutyl]amino]ethyl]-N-methylcarbamate?
The InChIKey is YLZTWRKRCDZLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2/c1-11(2)12(9-15)10-16-7-8-17(6)13(18)19-14(3,4)5/h11-12,16H,7-10,15H2,1-6H3.
What are the key properties of tert-butyl N-[2-[[2-(aminomethyl)-3-methylbutyl]amino]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[[2-(aminomethyl)-3-methylbutyl]amino]ethyl]-N-methylcarbamate has a molecular weight of 273.42 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[2-(aminomethyl)-3-methylbutyl]amino]ethyl]-N-methylcarbamate is sourced from PubChem (CID 107442949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).