tert-butyl N-[2-[(cyclooctylamino)methyl]-3-methylbutyl]carbamate

C19H38N2O2 — CID 107440994

IUPACtert-butyl N-[2-[(cyclooctylamino)methyl]-3-methylbutyl]carbamate
SMILESCC(C)C(CNC(=O)OC(C)(C)C)CNC1CCCCCCC1
InChIInChI=1S/C19H38N2O2/c1-15(2)16(14-21-18(22)23-19(3,4)5)13-20-17-11-9-7-6-8-10-12-17/h15-17,20H,6-14H2,1-5H3,(H,21,22)
InChIKeyRTOHFZKKVIMUNP-UHFFFAOYSA-N
MW326.53 g/mol
LogP4.49
Rot. Bonds6

About tert-butyl N-[2-[(cyclooctylamino)methyl]-3-methylbutyl]carbamate

tert-butyl N-[2-[(cyclooctylamino)methyl]-3-methylbutyl]carbamate (PubChem CID 107440994) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is tert-butyl N-[2-[(cyclooctylamino)methyl]-3-methylbutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(cyclooctylamino)methyl]-3-methylbutyl]carbamate
PubChem CID107440994
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC Nametert-butyl N-[2-[(cyclooctylamino)methyl]-3-methylbutyl]carbamate
SMILESCC(C)C(CNC(=O)OC(C)(C)C)CNC1CCCCCCC1
InChIInChI=1S/C19H38N2O2/c1-15(2)16(14-21-18(22)23-19(3,4)5)13-20-17-11-9-7-6-8-10-12-17/h15-17,20H,6-14H2,1-5H3,(H,21,22)
InChIKeyRTOHFZKKVIMUNP-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[2-[(cyclooctylamino)methyl]-3-methylbutyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-[[(4-hydroxycyclohexyl)amino]methyl]-3-methylbutyl]carbamate
CID 107441028
tert-butyl N-[3-methyl-2-[(oxan-4-ylamino)methyl]butyl]carbamate
CID 107441396
tert-butyl N-[2-[(cyclohex-3-en-1-ylamino)methyl]-3-methylbutyl]carbamate
CID 107442378
tert-butyl N-[2-(cycloheptylamino)propyl]carbamate
CID 103387396
tert-butyl N-[2-(cyclohexylamino)-4-methylpentyl]carbamate
CID 107252262
tert-butyl N-[2-(cyclododecylamino)ethyl]carbamate
CID 107241352
tert-butyl N-[3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]butyl]carbamate
CID 107442318
tert-butyl N-[2-cyclohexyl-2-(3-methylbutan-2-ylamino)ethyl]carbamate
CID 107252527
tert-butyl N-[6-(cyclohexylamino)hexyl]carbamate
CID 10590220
tert-butyl N-[2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-3-methylbutyl]carbamate
CID 107442391
tert-butyl N-[2-[[(1S)-1-cyclohexylethyl]amino]propyl]carbamate
CID 103390532
2-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 70184619

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(cyclooctylamino)methyl]-3-methylbutyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(cyclooctylamino)methyl]-3-methylbutyl]carbamate (CID 107440994) is tert-butyl N-[2-[(cyclooctylamino)methyl]-3-methylbutyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(cyclooctylamino)methyl]-3-methylbutyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(cyclooctylamino)methyl]-3-methylbutyl]carbamate is CC(C)C(CNC(=O)OC(C)(C)C)CNC1CCCCCCC1.
What is the InChIKey of tert-butyl N-[2-[(cyclooctylamino)methyl]-3-methylbutyl]carbamate?
The InChIKey is RTOHFZKKVIMUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-15(2)16(14-21-18(22)23-19(3,4)5)13-20-17-11-9-7-6-8-10-12-17/h15-17,20H,6-14H2,1-5H3,(H,21,22).
What are the key properties of tert-butyl N-[2-[(cyclooctylamino)methyl]-3-methylbutyl]carbamate?
tert-butyl N-[2-[(cyclooctylamino)methyl]-3-methylbutyl]carbamate has a molecular weight of 326.53 g/mol, XLogP of 4.49, 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-[(cyclooctylamino)methyl]-3-methylbutyl]carbamate is sourced from PubChem (CID 107440994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).