tert-butyl N-[[2-[(3-methylimidazol-4-yl)methylamino]cyclopentyl]methyl]carbamate

C16H28N4O2 — CID 103700564

IUPACtert-butyl N-[[2-[(3-methylimidazol-4-yl)methylamino]cyclopentyl]methyl]carbamate
SMILESCn1cncc1CNC1CCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C16H28N4O2/c1-16(2,3)22-15(21)19-8-12-6-5-7-14(12)18-10-13-9-17-11-20(13)4/h9,11-12,14,18H,5-8,10H2,1-4H3,(H,19,21)
InChIKeySCVDSGWWDGOORW-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.20
Rot. Bonds5

About tert-butyl N-[[2-[(3-methylimidazol-4-yl)methylamino]cyclopentyl]methyl]carbamate

tert-butyl N-[[2-[(3-methylimidazol-4-yl)methylamino]cyclopentyl]methyl]carbamate (PubChem CID 103700564) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is tert-butyl N-[[2-[(3-methylimidazol-4-yl)methylamino]cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[(3-methylimidazol-4-yl)methylamino]cyclopentyl]methyl]carbamate
PubChem CID103700564
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Nametert-butyl N-[[2-[(3-methylimidazol-4-yl)methylamino]cyclopentyl]methyl]carbamate
SMILESCn1cncc1CNC1CCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C16H28N4O2/c1-16(2,3)22-15(21)19-8-12-6-5-7-14(12)18-10-13-9-17-11-20(13)4/h9,11-12,14,18H,5-8,10H2,1-4H3,(H,19,21)
InChIKeySCVDSGWWDGOORW-UHFFFAOYSA-N
XLogP2.20
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[[2-[(2-methylpyrazol-3-yl)methylamino]cyclohexyl]methyl]carbamate
CID 103695501
tert-butyl N-[[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103275588
tert-butyl N-[[(1S,2R)-2-(1H-pyrrol-3-ylmethylamino)cyclopentyl]methyl]carbamate
CID 97048208
tert-butyl N-[[2-(thiadiazol-4-ylmethylamino)cyclopentyl]methyl]carbamate
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tert-butyl N-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]cyclopentyl]methyl]carbamate
CID 102673272
tert-butyl N-[[2-[(5-methylfuran-2-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103695771
tert-butyl N-[[2-[(1-methylpiperidin-4-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103695749
tert-butyl N-[[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103695728
tert-butyl N-[[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methyl]carbamate
CID 103695436
tert-butyl N-[[2-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]methyl]carbamate
CID 103695845
tert-butyl N-[[2-(1,2,4-oxadiazol-3-ylmethylamino)cyclohexyl]methyl]carbamate
CID 106393408
tert-butyl N-[[2-[2-(tert-butylamino)ethylamino]cyclopentyl]methyl]carbamate
CID 107446348

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[(3-methylimidazol-4-yl)methylamino]cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[(3-methylimidazol-4-yl)methylamino]cyclopentyl]methyl]carbamate (CID 103700564) is tert-butyl N-[[2-[(3-methylimidazol-4-yl)methylamino]cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[(3-methylimidazol-4-yl)methylamino]cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[(3-methylimidazol-4-yl)methylamino]cyclopentyl]methyl]carbamate is Cn1cncc1CNC1CCCC1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-[(3-methylimidazol-4-yl)methylamino]cyclopentyl]methyl]carbamate?
The InChIKey is SCVDSGWWDGOORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-16(2,3)22-15(21)19-8-12-6-5-7-14(12)18-10-13-9-17-11-20(13)4/h9,11-12,14,18H,5-8,10H2,1-4H3,(H,19,21).
What are the key properties of tert-butyl N-[[2-[(3-methylimidazol-4-yl)methylamino]cyclopentyl]methyl]carbamate?
tert-butyl N-[[2-[(3-methylimidazol-4-yl)methylamino]cyclopentyl]methyl]carbamate has a molecular weight of 308.43 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[(3-methylimidazol-4-yl)methylamino]cyclopentyl]methyl]carbamate is sourced from PubChem (CID 103700564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).