tert-butyl N-[4-[(4-methylcycloheptyl)amino]butan-2-yl]carbamate

C17H34N2O2 — CID 107246964

IUPACtert-butyl N-[4-[(4-methylcycloheptyl)amino]butan-2-yl]carbamate
SMILESCC1CCCC(NCCC(C)NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H34N2O2/c1-13-7-6-8-15(10-9-13)18-12-11-14(2)19-16(20)21-17(3,4)5/h13-15,18H,6-12H2,1-5H3,(H,19,20)
InChIKeyRLILELFTIQLHMM-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.85
Rot. Bonds5

About tert-butyl N-[4-[(4-methylcycloheptyl)amino]butan-2-yl]carbamate

tert-butyl N-[4-[(4-methylcycloheptyl)amino]butan-2-yl]carbamate (PubChem CID 107246964) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is tert-butyl N-[4-[(4-methylcycloheptyl)amino]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(4-methylcycloheptyl)amino]butan-2-yl]carbamate
PubChem CID107246964
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Nametert-butyl N-[4-[(4-methylcycloheptyl)amino]butan-2-yl]carbamate
SMILESCC1CCCC(NCCC(C)NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H34N2O2/c1-13-7-6-8-15(10-9-13)18-12-11-14(2)19-16(20)21-17(3,4)5/h13-15,18H,6-12H2,1-5H3,(H,19,20)
InChIKeyRLILELFTIQLHMM-UHFFFAOYSA-N
XLogP3.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-[(1-propan-2-ylazepan-4-yl)amino]butan-2-yl]carbamate
CID 107247033
tert-butyl N-[4-(azetidin-3-ylamino)butan-2-yl]carbamate
CID 107247078
tert-butyl N-[2-[(4-methylcyclohexyl)amino]ethyl]carbamate
CID 103653351
tert-butyl N-[(2S)-1-(cyclopropylamino)propan-2-yl]carbamate;hydrochloride
CID 68943833
tert-butyl N-[2,2-difluoro-3-[(4-methylcycloheptyl)amino]propyl]carbamate
CID 107257414
tert-butyl N-[3-[[(4-methylcycloheptyl)amino]methyl]pentan-3-yl]carbamate
CID 107251671
tert-butyl N-[2-[(4-methylcycloheptyl)amino]pentyl]carbamate
CID 107253589
tert-butyl N-[4-[(2,2-dimethyloxan-4-yl)amino]butan-2-yl]carbamate
CID 107247031
tert-butyl N-[3-(cyclobutylamino)-1-phenylpropyl]carbamate
CID 107256614
tert-butyl N-[1-[[(4-methylcycloheptyl)amino]methyl]cyclobutyl]carbamate
CID 107243295
tert-butyl N-[4-[(2-ethyloxan-4-yl)amino]butan-2-yl]carbamate
CID 107247104
tert-butyl N-[4-(cyclobutylamino)butyl]carbamate
CID 130986034

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(4-methylcycloheptyl)amino]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[(4-methylcycloheptyl)amino]butan-2-yl]carbamate (CID 107246964) is tert-butyl N-[4-[(4-methylcycloheptyl)amino]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(4-methylcycloheptyl)amino]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(4-methylcycloheptyl)amino]butan-2-yl]carbamate is CC1CCCC(NCCC(C)NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[4-[(4-methylcycloheptyl)amino]butan-2-yl]carbamate?
The InChIKey is RLILELFTIQLHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-13-7-6-8-15(10-9-13)18-12-11-14(2)19-16(20)21-17(3,4)5/h13-15,18H,6-12H2,1-5H3,(H,19,20).
What are the key properties of tert-butyl N-[4-[(4-methylcycloheptyl)amino]butan-2-yl]carbamate?
tert-butyl N-[4-[(4-methylcycloheptyl)amino]butan-2-yl]carbamate has a molecular weight of 298.47 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(4-methylcycloheptyl)amino]butan-2-yl]carbamate is sourced from PubChem (CID 107246964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).