tert-butyl N-[2-(spiro[4.5]decan-8-ylamino)propyl]carbamate

C18H34N2O2 — CID 107248525

IUPACtert-butyl N-[2-(spiro[4.5]decan-8-ylamino)propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NC1CCC2(CCCC2)CC1
InChIInChI=1S/C18H34N2O2/c1-14(13-19-16(21)22-17(2,3)4)20-15-7-11-18(12-8-15)9-5-6-10-18/h14-15,20H,5-13H2,1-4H3,(H,19,21)
InChIKeyOFJVPMVPGWWNSE-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.99
Rot. Bonds4

About tert-butyl N-[2-(spiro[4.5]decan-8-ylamino)propyl]carbamate

tert-butyl N-[2-(spiro[4.5]decan-8-ylamino)propyl]carbamate (PubChem CID 107248525) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is tert-butyl N-[2-(spiro[4.5]decan-8-ylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(spiro[4.5]decan-8-ylamino)propyl]carbamate
PubChem CID107248525
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Nametert-butyl N-[2-(spiro[4.5]decan-8-ylamino)propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NC1CCC2(CCCC2)CC1
InChIInChI=1S/C18H34N2O2/c1-14(13-19-16(21)22-17(2,3)4)20-15-7-11-18(12-8-15)9-5-6-10-18/h14-15,20H,5-13H2,1-4H3,(H,19,21)
InChIKeyOFJVPMVPGWWNSE-UHFFFAOYSA-N
XLogP3.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[2-(spiro[4.5]decan-8-ylamino)propyl]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-(cycloheptylamino)propyl]carbamate
CID 103387396
tert-butyl N-[2-(oxepan-4-ylamino)propyl]carbamate
CID 107248450
tert-butyl N-[2-[(3-aminocyclohexyl)amino]propyl]carbamate
CID 107248120
tert-butyl N-[2-[(2,6-dimethylcyclohexyl)amino]propyl]carbamate
CID 107248139
tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylamino)propyl]carbamate
CID 107248356
tert-butyl N-[2-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]amino]propyl]carbamate
CID 103388270
tert-butyl N-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]propyl]carbamate
CID 103390326
tert-butyl N-[2-[[(1S)-1-cyclohexylethyl]amino]propyl]carbamate
CID 103390532
tert-butyl N-[2-(cyclopentylmethylamino)propyl]carbamate
CID 103387805
tert-butyl N-[2-(cyclohexylamino)-4-methylpentyl]carbamate
CID 107252262
tert-butyl N-[4-[[(2R)-1-hydroxypropan-2-yl]amino]-1-methylcyclohexyl]carbamate
CID 154784625
2-(spiro[4.5]decan-8-ylamino)propan-1-ol
CID 114817249

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(spiro[4.5]decan-8-ylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-(spiro[4.5]decan-8-ylamino)propyl]carbamate (CID 107248525) is tert-butyl N-[2-(spiro[4.5]decan-8-ylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(spiro[4.5]decan-8-ylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(spiro[4.5]decan-8-ylamino)propyl]carbamate is CC(CNC(=O)OC(C)(C)C)NC1CCC2(CCCC2)CC1.
What is the InChIKey of tert-butyl N-[2-(spiro[4.5]decan-8-ylamino)propyl]carbamate?
The InChIKey is OFJVPMVPGWWNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-14(13-19-16(21)22-17(2,3)4)20-15-7-11-18(12-8-15)9-5-6-10-18/h14-15,20H,5-13H2,1-4H3,(H,19,21).
What are the key properties of tert-butyl N-[2-(spiro[4.5]decan-8-ylamino)propyl]carbamate?
tert-butyl N-[2-(spiro[4.5]decan-8-ylamino)propyl]carbamate has a molecular weight of 310.48 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(spiro[4.5]decan-8-ylamino)propyl]carbamate is sourced from PubChem (CID 107248525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).