tert-butyl N-[[2-[1-(diethylamino)propan-2-ylamino]cyclopentyl]methyl]carbamate

C18H37N3O2 — CID 103695763

IUPACtert-butyl N-[[2-[1-(diethylamino)propan-2-ylamino]cyclopentyl]methyl]carbamate
SMILESCCN(CC)CC(C)NC1CCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C18H37N3O2/c1-7-21(8-2)13-14(3)20-16-11-9-10-15(16)12-19-17(22)23-18(4,5)6/h14-16,20H,7-13H2,1-6H3,(H,19,22)
InChIKeyPYTREUUXWRHXQN-UHFFFAOYSA-N
MW327.51 g/mol
LogP3.00
Rot. Bonds8

About tert-butyl N-[[2-[1-(diethylamino)propan-2-ylamino]cyclopentyl]methyl]carbamate

tert-butyl N-[[2-[1-(diethylamino)propan-2-ylamino]cyclopentyl]methyl]carbamate (PubChem CID 103695763) has the molecular formula C18H37N3O2 and a molecular weight of 327.51 g/mol. Its IUPAC name is tert-butyl N-[[2-[1-(diethylamino)propan-2-ylamino]cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[1-(diethylamino)propan-2-ylamino]cyclopentyl]methyl]carbamate
PubChem CID103695763
Molecular FormulaC18H37N3O2
Molecular Weight327.51 g/mol
Exact Mass327.29
IUPAC Nametert-butyl N-[[2-[1-(diethylamino)propan-2-ylamino]cyclopentyl]methyl]carbamate
SMILESCCN(CC)CC(C)NC1CCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C18H37N3O2/c1-7-21(8-2)13-14(3)20-16-11-9-10-15(16)12-19-17(22)23-18(4,5)6/h14-16,20H,7-13H2,1-6H3,(H,19,22)
InChIKeyPYTREUUXWRHXQN-UHFFFAOYSA-N
XLogP3.00
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.51
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[2-[(4-amino-4-oxobutan-2-yl)amino]cyclopentyl]methyl]carbamate
CID 115677358
tert-butyl N-[[2-(1,1-difluoropropan-2-ylamino)cyclopentyl]methyl]carbamate
CID 107251475
tert-butyl N-[[2-(1-cyclopentylethylamino)cyclopentyl]methyl]carbamate
CID 103695804
tert-butyl N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopentyl]methyl]carbamate
CID 107251471
tert-butyl N-[[2-(1-cyclohexylethylamino)cyclopentyl]methyl]carbamate
CID 103695770
methyl 3-methyl-2-[[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]amino]pentanoate
CID 113242246
tert-butyl N-[[2-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexyl]methyl]carbamate
CID 103949542
tert-butyl N-[[2-(1-methoxypentan-2-ylamino)cyclopentyl]methyl]carbamate
CID 103695809
tert-butyl N-[[2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]cyclopentyl]methyl]carbamate
CID 113242256
tert-butyl N-[[2-(2,2-difluoroethylamino)cyclopentyl]methyl]carbamate
CID 115406072
tert-butyl N-[[2-[(1-hydroxy-4-methylpentan-2-yl)amino]cyclohexyl]methyl]carbamate
CID 103695449
tert-butyl N-[3-[1-(diethylamino)propan-2-ylamino]cyclohexyl]carbamate
CID 103720194

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[1-(diethylamino)propan-2-ylamino]cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[1-(diethylamino)propan-2-ylamino]cyclopentyl]methyl]carbamate (CID 103695763) is tert-butyl N-[[2-[1-(diethylamino)propan-2-ylamino]cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[1-(diethylamino)propan-2-ylamino]cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[1-(diethylamino)propan-2-ylamino]cyclopentyl]methyl]carbamate is CCN(CC)CC(C)NC1CCCC1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-[1-(diethylamino)propan-2-ylamino]cyclopentyl]methyl]carbamate?
The InChIKey is PYTREUUXWRHXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O2/c1-7-21(8-2)13-14(3)20-16-11-9-10-15(16)12-19-17(22)23-18(4,5)6/h14-16,20H,7-13H2,1-6H3,(H,19,22).
What are the key properties of tert-butyl N-[[2-[1-(diethylamino)propan-2-ylamino]cyclopentyl]methyl]carbamate?
tert-butyl N-[[2-[1-(diethylamino)propan-2-ylamino]cyclopentyl]methyl]carbamate has a molecular weight of 327.51 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[1-(diethylamino)propan-2-ylamino]cyclopentyl]methyl]carbamate is sourced from PubChem (CID 103695763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).