tert-butyl N-[2-(heptylamino)cycloheptyl]carbamate

C19H38N2O2 — CID 107244101

IUPACtert-butyl N-[2-(heptylamino)cycloheptyl]carbamate
SMILESCCCCCCCNC1CCCCCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C19H38N2O2/c1-5-6-7-8-12-15-20-16-13-10-9-11-14-17(16)21-18(22)23-19(2,3)4/h16-17,20H,5-15H2,1-4H3,(H,21,22)
InChIKeyWFUUNKJZLUDXTH-UHFFFAOYSA-N
MW326.53 g/mol
LogP4.77
Rot. Bonds8

About tert-butyl N-[2-(heptylamino)cycloheptyl]carbamate

tert-butyl N-[2-(heptylamino)cycloheptyl]carbamate (PubChem CID 107244101) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is tert-butyl N-[2-(heptylamino)cycloheptyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(heptylamino)cycloheptyl]carbamate
PubChem CID107244101
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC Nametert-butyl N-[2-(heptylamino)cycloheptyl]carbamate
SMILESCCCCCCCNC1CCCCCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C19H38N2O2/c1-5-6-7-8-12-15-20-16-13-10-9-11-14-17(16)21-18(22)23-19(2,3)4/h16-17,20H,5-15H2,1-4H3,(H,21,22)
InChIKeyWFUUNKJZLUDXTH-UHFFFAOYSA-N
XLogP4.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[4-(heptylamino)cyclohexyl]carbamate
CID 103947988
tert-butyl N-[4-(hexylamino)cyclohexyl]carbamate
CID 79113104
tert-butyl N-[2-(cyclopropylmethylamino)cycloheptyl]carbamate
CID 103082520
tert-butyl N-[2-(2-methylpropylamino)cycloheptyl]carbamate
CID 103082504
tert-butyl N-[2-(but-3-enylamino)cyclohexyl]carbamate
CID 68975767
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]acetic acid
CID 21251921
tert-butyl N-[3-(pentylamino)cyclopentyl]carbamate
CID 79462575
tert-butyl N-[(1S,2S)-2-(ethylamino)cyclobutyl]carbamate
CID 162423539
tert-butyl N-[2-(2,2-dimethoxyethylamino)cycloheptyl]carbamate
CID 107244083
tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate
CID 163904666
tert-butyl N-[6-(cyclohexylamino)hexyl]carbamate
CID 10590220
tert-butyl N-[(1S,2S)-2-(cyclohexylamino)cyclohexyl]carbamate
CID 129409949

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(heptylamino)cycloheptyl]carbamate?
The IUPAC name of tert-butyl N-[2-(heptylamino)cycloheptyl]carbamate (CID 107244101) is tert-butyl N-[2-(heptylamino)cycloheptyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(heptylamino)cycloheptyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(heptylamino)cycloheptyl]carbamate is CCCCCCCNC1CCCCCC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(heptylamino)cycloheptyl]carbamate?
The InChIKey is WFUUNKJZLUDXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-5-6-7-8-12-15-20-16-13-10-9-11-14-17(16)21-18(22)23-19(2,3)4/h16-17,20H,5-15H2,1-4H3,(H,21,22).
What are the key properties of tert-butyl N-[2-(heptylamino)cycloheptyl]carbamate?
tert-butyl N-[2-(heptylamino)cycloheptyl]carbamate has a molecular weight of 326.53 g/mol, XLogP of 4.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(heptylamino)cycloheptyl]carbamate is sourced from PubChem (CID 107244101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).