tert-butyl N-[3-methyl-1-[(1-propylimidazol-2-yl)methylamino]butan-2-yl]carbamate

C17H32N4O2 — CID 107248747

IUPACtert-butyl N-[3-methyl-1-[(1-propylimidazol-2-yl)methylamino]butan-2-yl]carbamate
SMILESCCCn1ccnc1CNCC(NC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C17H32N4O2/c1-7-9-21-10-8-19-15(21)12-18-11-14(13(2)3)20-16(22)23-17(4,5)6/h8,10,13-14,18H,7,9,11-12H2,1-6H3,(H,20,22)
InChIKeyFFVXOGQKBIQLIV-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.93
Rot. Bonds8

About tert-butyl N-[3-methyl-1-[(1-propylimidazol-2-yl)methylamino]butan-2-yl]carbamate

tert-butyl N-[3-methyl-1-[(1-propylimidazol-2-yl)methylamino]butan-2-yl]carbamate (PubChem CID 107248747) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is tert-butyl N-[3-methyl-1-[(1-propylimidazol-2-yl)methylamino]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-methyl-1-[(1-propylimidazol-2-yl)methylamino]butan-2-yl]carbamate
PubChem CID107248747
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Nametert-butyl N-[3-methyl-1-[(1-propylimidazol-2-yl)methylamino]butan-2-yl]carbamate
SMILESCCCn1ccnc1CNCC(NC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C17H32N4O2/c1-7-9-21-10-8-19-15(21)12-18-11-14(13(2)3)20-16(22)23-17(4,5)6/h8,10,13-14,18H,7,9,11-12H2,1-6H3,(H,20,22)
InChIKeyFFVXOGQKBIQLIV-UHFFFAOYSA-N
XLogP2.93
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[4-[(1-propylimidazol-2-yl)methylamino]butan-2-yl]carbamate
CID 107246928
tert-butyl N-[1-[[(1-propylimidazol-2-yl)methylamino]methyl]cyclobutyl]carbamate
CID 107243289
3-(1-butylimidazol-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170881395
tert-butyl N-[3-methyl-1-[(1-methylpyrrol-3-yl)methylamino]butan-2-yl]carbamate
CID 103872055
tert-butyl N-[1-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-2-yl]carbamate
CID 107248714
tert-butyl N-[1-[(6-methoxy-3-pyridinyl)methylamino]-3-methylbutan-2-yl]carbamate
CID 105007225
N-[(2-methylpropan-2-yl)oxy]-1-(1-propylimidazol-2-yl)methanamine
CID 82720219
tert-butyl N-[4-methyl-1-[methyl-[N'-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]carbamimidoyl]amino]pentan-3-yl]carbamate;hydroiodide
CID 109412261
methyl N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]carbamate
CID 62956308
tert-butyl N-[3-methyl-1-(1H-pyrrol-2-ylmethylamino)butan-2-yl]carbamate
CID 103578618
2-methyl-4-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butan-2-ol
CID 79356035
tert-butyl N-[(2S,3S)-1-(benzylamino)-3-methylpentan-2-yl]carbamate
CID 142634434

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-methyl-1-[(1-propylimidazol-2-yl)methylamino]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[3-methyl-1-[(1-propylimidazol-2-yl)methylamino]butan-2-yl]carbamate (CID 107248747) is tert-butyl N-[3-methyl-1-[(1-propylimidazol-2-yl)methylamino]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-methyl-1-[(1-propylimidazol-2-yl)methylamino]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-methyl-1-[(1-propylimidazol-2-yl)methylamino]butan-2-yl]carbamate is CCCn1ccnc1CNCC(NC(=O)OC(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl N-[3-methyl-1-[(1-propylimidazol-2-yl)methylamino]butan-2-yl]carbamate?
The InChIKey is FFVXOGQKBIQLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-7-9-21-10-8-19-15(21)12-18-11-14(13(2)3)20-16(22)23-17(4,5)6/h8,10,13-14,18H,7,9,11-12H2,1-6H3,(H,20,22).
What are the key properties of tert-butyl N-[3-methyl-1-[(1-propylimidazol-2-yl)methylamino]butan-2-yl]carbamate?
tert-butyl N-[3-methyl-1-[(1-propylimidazol-2-yl)methylamino]butan-2-yl]carbamate has a molecular weight of 324.47 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-methyl-1-[(1-propylimidazol-2-yl)methylamino]butan-2-yl]carbamate is sourced from PubChem (CID 107248747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).