tert-butyl N-[3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propyl]carbamate

C18H36N2O2 — CID 103821958

IUPACtert-butyl N-[3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propyl]carbamate
SMILESCC(C)CC1(CNCCCNC(=O)OC(C)(C)C)CCCC1
InChIInChI=1S/C18H36N2O2/c1-15(2)13-18(9-6-7-10-18)14-19-11-8-12-20-16(21)22-17(3,4)5/h15,19H,6-14H2,1-5H3,(H,20,21)
InChIKeyIHPGDQURBILPPX-UHFFFAOYSA-N
MW312.50 g/mol
LogP4.10
Rot. Bonds8

About tert-butyl N-[3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propyl]carbamate

tert-butyl N-[3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propyl]carbamate (PubChem CID 103821958) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is tert-butyl N-[3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propyl]carbamate
PubChem CID103821958
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC Nametert-butyl N-[3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propyl]carbamate
SMILESCC(C)CC1(CNCCCNC(=O)OC(C)(C)C)CCCC1
InChIInChI=1S/C18H36N2O2/c1-15(2)13-18(9-6-7-10-18)14-19-11-8-12-20-16(21)22-17(3,4)5/h15,19H,6-14H2,1-5H3,(H,20,21)
InChIKeyIHPGDQURBILPPX-UHFFFAOYSA-N
XLogP4.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 54.10
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-[3-[[1-(hydroxymethyl)cyclopentyl]methylamino]propyl]carbamate
CID 115358654
tert-butyl N-[3-[(1-methylsulfanylcyclobutyl)methylamino]propyl]carbamate
CID 107272034
tert-butyl N-[3-(2-methylpropylamino)propyl]carbamate
CID 59722489
tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]propyl]carbamate
CID 10404463
N-[[1-(2-methylpropyl)cyclobutyl]methyl]butan-1-amine
CID 167274692
2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclobutyl]acetic acid
CID 81165533
tert-butyl N-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethyl]carbamate
CID 115671394
tert-butyl N-[2-[(1-ethylcyclopropyl)methylamino]ethyl]carbamate
CID 103735451
2-bromo-2-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propanamide
CID 114328916
tert-butyl N-[1-(2-methylpropyl)cyclobutyl]carbamate
CID 59743771
methyl 2-[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropyl]methylamino]acetate
CID 139401080
tert-butyl N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]carbamate
CID 121207999

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propyl]carbamate (CID 103821958) is tert-butyl N-[3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propyl]carbamate is CC(C)CC1(CNCCCNC(=O)OC(C)(C)C)CCCC1.
What is the InChIKey of tert-butyl N-[3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propyl]carbamate?
The InChIKey is IHPGDQURBILPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-15(2)13-18(9-6-7-10-18)14-19-11-8-12-20-16(21)22-17(3,4)5/h15,19H,6-14H2,1-5H3,(H,20,21).
What are the key properties of tert-butyl N-[3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propyl]carbamate?
tert-butyl N-[3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propyl]carbamate has a molecular weight of 312.50 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propyl]carbamate is sourced from PubChem (CID 103821958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).