tert-butyl N-[3-amino-2-[(4-ethylcyclohexyl)-methylamino]propyl]carbamate

C17H35N3O2 — CID 102729795

IUPACtert-butyl N-[3-amino-2-[(4-ethylcyclohexyl)-methylamino]propyl]carbamate
SMILESCCC1CCC(N(C)C(CN)CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H35N3O2/c1-6-13-7-9-14(10-8-13)20(5)15(11-18)12-19-16(21)22-17(2,3)4/h13-15H,6-12,18H2,1-5H3,(H,19,21)
InChIKeyBNXHWXMTTTUNKS-UHFFFAOYSA-N
MW313.49 g/mol
LogP2.74
Rot. Bonds6

About tert-butyl N-[3-amino-2-[(4-ethylcyclohexyl)-methylamino]propyl]carbamate

tert-butyl N-[3-amino-2-[(4-ethylcyclohexyl)-methylamino]propyl]carbamate (PubChem CID 102729795) has the molecular formula C17H35N3O2 and a molecular weight of 313.49 g/mol. Its IUPAC name is tert-butyl N-[3-amino-2-[(4-ethylcyclohexyl)-methylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-amino-2-[(4-ethylcyclohexyl)-methylamino]propyl]carbamate
PubChem CID102729795
Molecular FormulaC17H35N3O2
Molecular Weight313.49 g/mol
Exact Mass313.27
IUPAC Nametert-butyl N-[3-amino-2-[(4-ethylcyclohexyl)-methylamino]propyl]carbamate
SMILESCCC1CCC(N(C)C(CN)CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H35N3O2/c1-6-13-7-9-14(10-8-13)20(5)15(11-18)12-19-16(21)22-17(2,3)4/h13-15H,6-12,18H2,1-5H3,(H,19,21)
InChIKeyBNXHWXMTTTUNKS-UHFFFAOYSA-N
XLogP2.74
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-amino-2-[cyclopropyl(methyl)amino]propyl]carbamate
CID 102729530
tert-butyl N-[3-amino-2-[cyclobutyl(methyl)amino]propyl]carbamate
CID 102730486
tert-butyl N-[3-amino-2-[methyl-(1-methylpiperidin-4-yl)amino]propyl]carbamate
CID 102729450
tert-butyl N-[3-amino-2-[2-(cyclopropylmethoxy)ethyl-methylamino]propyl]carbamate
CID 102730363
tert-butyl N-[3-amino-2-[cyclopropyl(3-methylbutyl)amino]propyl]carbamate
CID 102729861
tert-butyl N-[4-amino-3-[methyl-(1-methylpiperidin-3-yl)amino]butyl]carbamate
CID 102729991
tert-butyl N-[4-amino-3-[methyl(thiolan-3-yl)amino]butyl]carbamate
CID 102729571
tert-butyl N-[2-cyclopropyl-2-[(4-ethylcyclohexyl)amino]ethyl]carbamate
CID 103699773
tert-butyl N-(3-amino-2-cyclopropylpropyl)carbamate
CID 84723673
tert-butyl N-[3-amino-2-[2-methylpropyl(propan-2-yl)amino]propyl]carbamate
CID 102729846
tert-butyl N-[(2R)-3-cyclopropyl-2-hydroxypropyl]carbamate
CID 167726889
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-amino-2-[(4-ethylcyclohexyl)-methylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-amino-2-[(4-ethylcyclohexyl)-methylamino]propyl]carbamate (CID 102729795) is tert-butyl N-[3-amino-2-[(4-ethylcyclohexyl)-methylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-amino-2-[(4-ethylcyclohexyl)-methylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-amino-2-[(4-ethylcyclohexyl)-methylamino]propyl]carbamate is CCC1CCC(N(C)C(CN)CNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[3-amino-2-[(4-ethylcyclohexyl)-methylamino]propyl]carbamate?
The InChIKey is BNXHWXMTTTUNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O2/c1-6-13-7-9-14(10-8-13)20(5)15(11-18)12-19-16(21)22-17(2,3)4/h13-15H,6-12,18H2,1-5H3,(H,19,21).
What are the key properties of tert-butyl N-[3-amino-2-[(4-ethylcyclohexyl)-methylamino]propyl]carbamate?
tert-butyl N-[3-amino-2-[(4-ethylcyclohexyl)-methylamino]propyl]carbamate has a molecular weight of 313.49 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-amino-2-[(4-ethylcyclohexyl)-methylamino]propyl]carbamate is sourced from PubChem (CID 102729795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).