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

C15H30N2O3 — CID 115358654

IUPACtert-butyl N-[3-[[1-(hydroxymethyl)cyclopentyl]methylamino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNCC1(CO)CCCC1
InChIInChI=1S/C15H30N2O3/c1-14(2,3)20-13(19)17-10-6-9-16-11-15(12-18)7-4-5-8-15/h16,18H,4-12H2,1-3H3,(H,17,19)
InChIKeyGVACQLFCHMAZFV-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.04
Rot. Bonds7

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

tert-butyl N-[3-[[1-(hydroxymethyl)cyclopentyl]methylamino]propyl]carbamate (PubChem CID 115358654) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is tert-butyl N-[3-[[1-(hydroxymethyl)cyclopentyl]methylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[1-(hydroxymethyl)cyclopentyl]methylamino]propyl]carbamate
PubChem CID115358654
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nametert-butyl N-[3-[[1-(hydroxymethyl)cyclopentyl]methylamino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNCC1(CO)CCCC1
InChIInChI=1S/C15H30N2O3/c1-14(2,3)20-13(19)17-10-6-9-16-11-15(12-18)7-4-5-8-15/h16,18H,4-12H2,1-3H3,(H,17,19)
InChIKeyGVACQLFCHMAZFV-UHFFFAOYSA-N
XLogP2.04
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethyl]carbamate
CID 115671394
tert-butyl N-[3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propyl]carbamate
CID 103821958
tert-butyl N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]carbamate
CID 121207999
tert-butyl 3-[[1-(hydroxymethyl)cyclohexyl]methylamino]propanoate
CID 103263101
tert-butyl N-[3-[(1-methylsulfanylcyclobutyl)methylamino]propyl]carbamate
CID 107272034
2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclobutyl]acetic acid
CID 81165533
tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]propyl]carbamate
CID 10404463
tert-butyl N-[[4-(hydroxymethyl)piperidin-4-yl]methyl]carbamate;hydrochloride
CID 163332476
tert-butyl N-[2-[(1-ethylcyclopropyl)methylamino]ethyl]carbamate
CID 103735451
tert-butyl N-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]butan-2-yl]carbamate
CID 107250152
tert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]-N-propan-2-ylcarbamate
CID 107245582
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]acetic acid
CID 5074020

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[1-(hydroxymethyl)cyclopentyl]methylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[1-(hydroxymethyl)cyclopentyl]methylamino]propyl]carbamate (CID 115358654) is tert-butyl N-[3-[[1-(hydroxymethyl)cyclopentyl]methylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[1-(hydroxymethyl)cyclopentyl]methylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[1-(hydroxymethyl)cyclopentyl]methylamino]propyl]carbamate is CC(C)(C)OC(=O)NCCCNCC1(CO)CCCC1.
What is the InChIKey of tert-butyl N-[3-[[1-(hydroxymethyl)cyclopentyl]methylamino]propyl]carbamate?
The InChIKey is GVACQLFCHMAZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-14(2,3)20-13(19)17-10-6-9-16-11-15(12-18)7-4-5-8-15/h16,18H,4-12H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-[3-[[1-(hydroxymethyl)cyclopentyl]methylamino]propyl]carbamate?
tert-butyl N-[3-[[1-(hydroxymethyl)cyclopentyl]methylamino]propyl]carbamate has a molecular weight of 286.42 g/mol, XLogP of 2.04, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[1-(hydroxymethyl)cyclopentyl]methylamino]propyl]carbamate is sourced from PubChem (CID 115358654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).