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

C18H36N2O2 — CID 107253589

IUPACtert-butyl N-[2-[(4-methylcycloheptyl)amino]pentyl]carbamate
SMILESCCCC(CNC(=O)OC(C)(C)C)NC1CCCC(C)CC1
InChIInChI=1S/C18H36N2O2/c1-6-8-16(13-19-17(21)22-18(3,4)5)20-15-10-7-9-14(2)11-12-15/h14-16,20H,6-13H2,1-5H3,(H,19,21)
InChIKeyJAXWKAFOSLUVCT-UHFFFAOYSA-N
MW312.50 g/mol
LogP4.24
Rot. Bonds6

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

tert-butyl N-[2-[(4-methylcycloheptyl)amino]pentyl]carbamate (PubChem CID 107253589) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is tert-butyl N-[2-[(4-methylcycloheptyl)amino]pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(4-methylcycloheptyl)amino]pentyl]carbamate
PubChem CID107253589
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC Nametert-butyl N-[2-[(4-methylcycloheptyl)amino]pentyl]carbamate
SMILESCCCC(CNC(=O)OC(C)(C)C)NC1CCCC(C)CC1
InChIInChI=1S/C18H36N2O2/c1-6-8-16(13-19-17(21)22-18(3,4)5)20-15-10-7-9-14(2)11-12-15/h14-16,20H,6-13H2,1-5H3,(H,19,21)
InChIKeyJAXWKAFOSLUVCT-UHFFFAOYSA-N
XLogP4.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[(4-ethylcycloheptyl)amino]pentyl]carbamate
CID 107253652
tert-butyl N-[2-(cycloheptylamino)hexyl]carbamate
CID 107256430
tert-butyl N-[2-(azetidin-3-ylamino)pentyl]carbamate
CID 107253812
tert-butyl N-[4-methyl-2-[(3-methylcyclohexyl)amino]pentyl]carbamate
CID 107252163
tert-butyl N-[2-[(2-ethylcyclopentyl)amino]pentyl]carbamate
CID 107253520
tert-butyl N-[2-(oxepan-4-ylamino)hexyl]carbamate
CID 103894993
tert-butyl N-[2-(piperidin-4-ylamino)hexyl]carbamate
CID 107256495
tert-butyl N-[2-(cyclohexylamino)-4-methylpentyl]carbamate
CID 107252262
tert-butyl N-[2-[(2-propan-2-ylcyclohexyl)amino]pentyl]carbamate
CID 107253828
tert-butyl N-[4-[(4-methylcycloheptyl)amino]butan-2-yl]carbamate
CID 107246964
tert-butyl N-[2-(azetidin-3-ylamino)hexyl]carbamate
CID 107256567
tert-butyl N-[2-[(2,4,4-trimethylcyclohexyl)amino]pentyl]carbamate
CID 107253767

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(4-methylcycloheptyl)amino]pentyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(4-methylcycloheptyl)amino]pentyl]carbamate (CID 107253589) is tert-butyl N-[2-[(4-methylcycloheptyl)amino]pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(4-methylcycloheptyl)amino]pentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(4-methylcycloheptyl)amino]pentyl]carbamate is CCCC(CNC(=O)OC(C)(C)C)NC1CCCC(C)CC1.
What is the InChIKey of tert-butyl N-[2-[(4-methylcycloheptyl)amino]pentyl]carbamate?
The InChIKey is JAXWKAFOSLUVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-6-8-16(13-19-17(21)22-18(3,4)5)20-15-10-7-9-14(2)11-12-15/h14-16,20H,6-13H2,1-5H3,(H,19,21).
What are the key properties of tert-butyl N-[2-[(4-methylcycloheptyl)amino]pentyl]carbamate?
tert-butyl N-[2-[(4-methylcycloheptyl)amino]pentyl]carbamate has a molecular weight of 312.50 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(4-methylcycloheptyl)amino]pentyl]carbamate is sourced from PubChem (CID 107253589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).