tert-butyl N-[3-[[(4-methylcycloheptyl)amino]methyl]pentan-3-yl]carbamate

C19H38N2O2 — CID 107251671

IUPACtert-butyl N-[3-[[(4-methylcycloheptyl)amino]methyl]pentan-3-yl]carbamate
SMILESCCC(CC)(CNC1CCCC(C)CC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H38N2O2/c1-7-19(8-2,21-17(22)23-18(4,5)6)14-20-16-11-9-10-15(3)12-13-16/h15-16,20H,7-14H2,1-6H3,(H,21,22)
InChIKeyAXSSULWAOUIGGP-UHFFFAOYSA-N
MW326.53 g/mol
LogP4.63
Rot. Bonds6

About tert-butyl N-[3-[[(4-methylcycloheptyl)amino]methyl]pentan-3-yl]carbamate

tert-butyl N-[3-[[(4-methylcycloheptyl)amino]methyl]pentan-3-yl]carbamate (PubChem CID 107251671) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is tert-butyl N-[3-[[(4-methylcycloheptyl)amino]methyl]pentan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[(4-methylcycloheptyl)amino]methyl]pentan-3-yl]carbamate
PubChem CID107251671
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC Nametert-butyl N-[3-[[(4-methylcycloheptyl)amino]methyl]pentan-3-yl]carbamate
SMILESCCC(CC)(CNC1CCCC(C)CC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H38N2O2/c1-7-19(8-2,21-17(22)23-18(4,5)6)14-20-16-11-9-10-15(3)12-13-16/h15-16,20H,7-14H2,1-6H3,(H,21,22)
InChIKeyAXSSULWAOUIGGP-UHFFFAOYSA-N
XLogP4.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-[[(4-ethylcyclohexyl)amino]methyl]pentan-3-yl]carbamate
CID 107251589
tert-butyl N-[3-[[(3-methylcyclobutyl)amino]methyl]pentan-3-yl]carbamate
CID 104859858
tert-butyl N-[2,2-difluoro-3-[(4-methylcycloheptyl)amino]propyl]carbamate
CID 107257414
tert-butyl N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]carbamate
CID 107249963
tert-butyl N-[4-[(4-methylcycloheptyl)amino]butan-2-yl]carbamate
CID 107246964
tert-butyl N-[1-[[(4-methylcycloheptyl)amino]methyl]cyclobutyl]carbamate
CID 107243295
tert-butyl N-[2-[(4-methylcyclohexyl)amino]ethyl]carbamate
CID 103653351
tert-butyl N-[1-[(3-methoxycyclohexyl)amino]-2-methylpropan-2-yl]carbamate
CID 104624820
tert-butyl N-[2-[(4-methylcycloheptyl)amino]pentyl]carbamate
CID 107253589
tert-butyl N-[3-[(2,2-dimethylpropylamino)methyl]pentan-3-yl]carbamate
CID 103714780
tert-butyl N-[2,2-difluoro-3-[(3-methylcyclohexyl)amino]propyl]carbamate
CID 107257517
tert-butyl N-[2-methyl-1-[(4-methylcyclohexyl)methylamino]propan-2-yl]carbamate
CID 107249903

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[(4-methylcycloheptyl)amino]methyl]pentan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[3-[[(4-methylcycloheptyl)amino]methyl]pentan-3-yl]carbamate (CID 107251671) is tert-butyl N-[3-[[(4-methylcycloheptyl)amino]methyl]pentan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[(4-methylcycloheptyl)amino]methyl]pentan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[(4-methylcycloheptyl)amino]methyl]pentan-3-yl]carbamate is CCC(CC)(CNC1CCCC(C)CC1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[[(4-methylcycloheptyl)amino]methyl]pentan-3-yl]carbamate?
The InChIKey is AXSSULWAOUIGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-7-19(8-2,21-17(22)23-18(4,5)6)14-20-16-11-9-10-15(3)12-13-16/h15-16,20H,7-14H2,1-6H3,(H,21,22).
What are the key properties of tert-butyl N-[3-[[(4-methylcycloheptyl)amino]methyl]pentan-3-yl]carbamate?
tert-butyl N-[3-[[(4-methylcycloheptyl)amino]methyl]pentan-3-yl]carbamate has a molecular weight of 326.53 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[(4-methylcycloheptyl)amino]methyl]pentan-3-yl]carbamate is sourced from PubChem (CID 107251671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).