tert-butyl N-[4-amino-3-[ethyl(pyridin-4-ylmethyl)amino]butyl]carbamate

C17H30N4O2 — CID 102729788

IUPACtert-butyl N-[4-amino-3-[ethyl(pyridin-4-ylmethyl)amino]butyl]carbamate
SMILESCCN(Cc1ccncc1)C(CN)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C17H30N4O2/c1-5-21(13-14-6-9-19-10-7-14)15(12-18)8-11-20-16(22)23-17(2,3)4/h6-7,9-10,15H,5,8,11-13,18H2,1-4H3,(H,20,22)
InChIKeyNLGHQCCQLCUMNC-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.15
Rot. Bonds8

About tert-butyl N-[4-amino-3-[ethyl(pyridin-4-ylmethyl)amino]butyl]carbamate

tert-butyl N-[4-amino-3-[ethyl(pyridin-4-ylmethyl)amino]butyl]carbamate (PubChem CID 102729788) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl N-[4-amino-3-[ethyl(pyridin-4-ylmethyl)amino]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-amino-3-[ethyl(pyridin-4-ylmethyl)amino]butyl]carbamate
PubChem CID102729788
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Nametert-butyl N-[4-amino-3-[ethyl(pyridin-4-ylmethyl)amino]butyl]carbamate
SMILESCCN(Cc1ccncc1)C(CN)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C17H30N4O2/c1-5-21(13-14-6-9-19-10-7-14)15(12-18)8-11-20-16(22)23-17(2,3)4/h6-7,9-10,15H,5,8,11-13,18H2,1-4H3,(H,20,22)
InChIKeyNLGHQCCQLCUMNC-UHFFFAOYSA-N
XLogP2.15
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[4-amino-3-[ethyl(2-methoxyethyl)amino]butyl]carbamate
CID 102729785
tert-butyl N-[4-amino-3-(4-ethyl-N-methylanilino)butyl]carbamate
CID 102729926
tert-butyl N-[4-amino-3-[bis(2-methylpropyl)amino]butyl]carbamate
CID 102729674
tert-butyl N-[4-amino-3-[cyclobutylmethyl(ethyl)amino]butyl]carbamate
CID 107397726
tert-butyl N-[4-amino-3-[benzyl(cyclopropyl)amino]butyl]carbamate
CID 130935352
tert-butyl N-[4-amino-3-[methyl-[(2-methylphenyl)methyl]amino]butyl]carbamate
CID 102729680
tert-butyl N-[4-amino-3-(4-fluoro-N-methylanilino)butyl]carbamate
CID 102729914
[(5S)-6-[bis(pyridin-4-ylmethyl)amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexyl]carbamic acid
CID 118113524
methyl 2-[ethyl(pyridin-4-ylmethyl)amino]hexanoate
CID 112548725
tert-butyl N-[3-amino-2-[(4-bromophenyl)methyl-methylamino]propyl]carbamate
CID 102729699
tert-butyl N-[3-amino-2-[(4-fluorophenyl)methyl-methylamino]propyl]carbamate
CID 102729687
tert-butyl N-[2-(pyridin-4-ylmethylamino)propyl]carbamate
CID 103387526

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-amino-3-[ethyl(pyridin-4-ylmethyl)amino]butyl]carbamate?
The IUPAC name of tert-butyl N-[4-amino-3-[ethyl(pyridin-4-ylmethyl)amino]butyl]carbamate (CID 102729788) is tert-butyl N-[4-amino-3-[ethyl(pyridin-4-ylmethyl)amino]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-amino-3-[ethyl(pyridin-4-ylmethyl)amino]butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-amino-3-[ethyl(pyridin-4-ylmethyl)amino]butyl]carbamate is CCN(Cc1ccncc1)C(CN)CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-amino-3-[ethyl(pyridin-4-ylmethyl)amino]butyl]carbamate?
The InChIKey is NLGHQCCQLCUMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-5-21(13-14-6-9-19-10-7-14)15(12-18)8-11-20-16(22)23-17(2,3)4/h6-7,9-10,15H,5,8,11-13,18H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-[4-amino-3-[ethyl(pyridin-4-ylmethyl)amino]butyl]carbamate?
tert-butyl N-[4-amino-3-[ethyl(pyridin-4-ylmethyl)amino]butyl]carbamate has a molecular weight of 322.45 g/mol, XLogP of 2.15, 8 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-[ethyl(pyridin-4-ylmethyl)amino]butyl]carbamate is sourced from PubChem (CID 102729788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).