tert-butyl N-[2-(cycloheptylamino)hexyl]carbamate

C18H36N2O2 — CID 107256430

IUPACtert-butyl N-[2-(cycloheptylamino)hexyl]carbamate
SMILESCCCCC(CNC(=O)OC(C)(C)C)NC1CCCCCC1
InChIInChI=1S/C18H36N2O2/c1-5-6-11-16(14-19-17(21)22-18(2,3)4)20-15-12-9-7-8-10-13-15/h15-16,20H,5-14H2,1-4H3,(H,19,21)
InChIKeyCQTSKJANMAMKOO-UHFFFAOYSA-N
MW312.50 g/mol
LogP4.38
Rot. Bonds7

About tert-butyl N-[2-(cycloheptylamino)hexyl]carbamate

tert-butyl N-[2-(cycloheptylamino)hexyl]carbamate (PubChem CID 107256430) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is tert-butyl N-[2-(cycloheptylamino)hexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(cycloheptylamino)hexyl]carbamate
PubChem CID107256430
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC Nametert-butyl N-[2-(cycloheptylamino)hexyl]carbamate
SMILESCCCCC(CNC(=O)OC(C)(C)C)NC1CCCCCC1
InChIInChI=1S/C18H36N2O2/c1-5-6-11-16(14-19-17(21)22-18(2,3)4)20-15-12-9-7-8-10-13-15/h15-16,20H,5-14H2,1-4H3,(H,19,21)
InChIKeyCQTSKJANMAMKOO-UHFFFAOYSA-N
XLogP4.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-(azetidin-3-ylamino)hexyl]carbamate
CID 107256567
tert-butyl N-[2-(cyclohexylamino)-4-methylpentyl]carbamate
CID 107252262
tert-butyl N-[2-[(4-methylcycloheptyl)amino]pentyl]carbamate
CID 107253589
tert-butyl N-[2-[(2,2-dimethylcyclohexyl)amino]hexyl]carbamate
CID 107256444
tert-butyl N-[2-[(4-ethylcycloheptyl)amino]pentyl]carbamate
CID 107253652
tert-butyl N-[2-(1-cyclopropylethylamino)hexyl]carbamate
CID 103788606
tert-butyl N-[2-(cycloheptylamino)propyl]carbamate
CID 103387396
tert-butyl N-[2-(azetidin-3-ylamino)pentyl]carbamate
CID 107253812
tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)hexyl]carbamate
CID 107256507
tert-butyl N-[2-(butylamino)hexyl]carbamate
CID 107256535

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(cycloheptylamino)hexyl]carbamate?
The IUPAC name of tert-butyl N-[2-(cycloheptylamino)hexyl]carbamate (CID 107256430) is tert-butyl N-[2-(cycloheptylamino)hexyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(cycloheptylamino)hexyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(cycloheptylamino)hexyl]carbamate is CCCCC(CNC(=O)OC(C)(C)C)NC1CCCCCC1.
What is the InChIKey of tert-butyl N-[2-(cycloheptylamino)hexyl]carbamate?
The InChIKey is CQTSKJANMAMKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-5-6-11-16(14-19-17(21)22-18(2,3)4)20-15-12-9-7-8-10-13-15/h15-16,20H,5-14H2,1-4H3,(H,19,21).
What are the key properties of tert-butyl N-[2-(cycloheptylamino)hexyl]carbamate?
tert-butyl N-[2-(cycloheptylamino)hexyl]carbamate has a molecular weight of 312.50 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(cycloheptylamino)hexyl]carbamate is sourced from PubChem (CID 107256430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).