tert-butyl N-[4-amino-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]butan-2-yl]carbamate

C17H30N4O2 — CID 102730358

IUPACtert-butyl N-[4-amino-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]butan-2-yl]carbamate
SMILESCc1cccc(CN(C)C(CN)C(C)NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C17H30N4O2/c1-12-8-7-9-14(19-12)11-21(6)15(10-18)13(2)20-16(22)23-17(3,4)5/h7-9,13,15H,10-11,18H2,1-6H3,(H,20,22)
InChIKeyBZIRPMPAAQQAHF-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.06
Rot. Bonds6

About tert-butyl N-[4-amino-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]butan-2-yl]carbamate

tert-butyl N-[4-amino-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]butan-2-yl]carbamate (PubChem CID 102730358) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl N-[4-amino-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-amino-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]butan-2-yl]carbamate
PubChem CID102730358
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Nametert-butyl N-[4-amino-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]butan-2-yl]carbamate
SMILESCc1cccc(CN(C)C(CN)C(C)NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C17H30N4O2/c1-12-8-7-9-14(19-12)11-21(6)15(10-18)13(2)20-16(22)23-17(3,4)5/h7-9,13,15H,10-11,18H2,1-6H3,(H,20,22)
InChIKeyBZIRPMPAAQQAHF-UHFFFAOYSA-N
XLogP2.06
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[4-amino-3-[methyl-[(4-methylphenyl)methyl]amino]butan-2-yl]carbamate
CID 102729509
tert-butyl N-[4-amino-3-[benzyl(propyl)amino]butan-2-yl]carbamate
CID 130834870
tert-butyl N-[4-amino-3-[benzyl(cyclopropyl)amino]butan-2-yl]carbamate
CID 131010587
tert-butyl N-[6-[(dimethylamino)methyl]-2-pyridinyl]carbamate
CID 178156276
3-methyl-2-[(6-methyl-2-pyridinyl)methoxycarbonylamino]butanoic acid
CID 18939663
tert-butyl N-[4-amino-3-[benzyl(methyl)amino]-2-methylbutyl]carbamate
CID 130604556
tert-butyl N-[4-amino-3-[cyclobutyl(methyl)amino]butan-2-yl]carbamate
CID 102730487
tert-butyl N-[3-[(6-methyl-2-pyridinyl)methylamino]cyclobutyl]carbamate
CID 80560824
tert-butyl N-[4-amino-3-[cycloheptyl(methyl)amino]butan-2-yl]carbamate
CID 102729640
tert-butyl N-[4-amino-3-[methyl(oxolan-2-ylmethyl)amino]butan-2-yl]carbamate
CID 102729742
tert-butyl 2-[[6-[[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]-2-pyridinyl]methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
CID 91140036
ethyl (4S)-3-(aminomethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 130293337

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-amino-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-amino-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]butan-2-yl]carbamate (CID 102730358) is tert-butyl N-[4-amino-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-amino-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-amino-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]butan-2-yl]carbamate is Cc1cccc(CN(C)C(CN)C(C)NC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[4-amino-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]butan-2-yl]carbamate?
The InChIKey is BZIRPMPAAQQAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-12-8-7-9-14(19-12)11-21(6)15(10-18)13(2)20-16(22)23-17(3,4)5/h7-9,13,15H,10-11,18H2,1-6H3,(H,20,22).
What are the key properties of tert-butyl N-[4-amino-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]butan-2-yl]carbamate?
tert-butyl N-[4-amino-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]butan-2-yl]carbamate has a molecular weight of 322.45 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-amino-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]butan-2-yl]carbamate is sourced from PubChem (CID 102730358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).