tert-butyl N-[3-(4-methylazepan-1-yl)propyl]carbamate

C15H30N2O2 — CID 143014602

IUPACtert-butyl N-[3-(4-methylazepan-1-yl)propyl]carbamate
SMILESCC1CCCN(CCCNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H30N2O2/c1-13-7-5-10-17(12-8-13)11-6-9-16-14(18)19-15(2,3)4/h13H,5-12H2,1-4H3,(H,16,18)
InChIKeyFDZXZUDIGLYSSH-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.02
Rot. Bonds4

About tert-butyl N-[3-(4-methylazepan-1-yl)propyl]carbamate

tert-butyl N-[3-(4-methylazepan-1-yl)propyl]carbamate (PubChem CID 143014602) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is tert-butyl N-[3-(4-methylazepan-1-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(4-methylazepan-1-yl)propyl]carbamate
PubChem CID143014602
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nametert-butyl N-[3-(4-methylazepan-1-yl)propyl]carbamate
SMILESCC1CCCN(CCCNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H30N2O2/c1-13-7-5-10-17(12-8-13)11-6-9-16-14(18)19-15(2,3)4/h13H,5-12H2,1-4H3,(H,16,18)
InChIKeyFDZXZUDIGLYSSH-UHFFFAOYSA-N
XLogP3.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
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-[2-[[N'-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111885562
tert-butyl N-[5-[4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperazin-1-yl]pentyl]carbamate
CID 68676140
N-[3-(4-methylpiperidin-1-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604980
2-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidin-4-yl]oxyacetic acid
CID 138726762
tert-butyl N-[3-[[N'-methyl-N-(3-pyrrolidin-1-ylpropyl)carbamimidoyl]amino]propyl]carbamate
CID 111886797
2-amino-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 61265469
2-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 63679463
tert-butyl N-(4-piperazin-1-ylbutyl)carbamate
CID 4134691
ethyl 2-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidin-4-yl]oxyacetate
CID 138693308
tert-butyl N-[4-(2-methylpyrrolidin-1-yl)-4-oxobutyl]carbamate
CID 67102250
2,2-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]propanamide
CID 94119599
tert-butyl N-[3-[4-(3,4,5-trifluorophenyl)piperidin-1-yl]propyl]carbamate
CID 22729485

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(4-methylazepan-1-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-(4-methylazepan-1-yl)propyl]carbamate (CID 143014602) is tert-butyl N-[3-(4-methylazepan-1-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(4-methylazepan-1-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(4-methylazepan-1-yl)propyl]carbamate is CC1CCCN(CCCNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[3-(4-methylazepan-1-yl)propyl]carbamate?
The InChIKey is FDZXZUDIGLYSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-13-7-5-10-17(12-8-13)11-6-9-16-14(18)19-15(2,3)4/h13H,5-12H2,1-4H3,(H,16,18).
What are the key properties of tert-butyl N-[3-(4-methylazepan-1-yl)propyl]carbamate?
tert-butyl N-[3-(4-methylazepan-1-yl)propyl]carbamate has a molecular weight of 270.42 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(4-methylazepan-1-yl)propyl]carbamate is sourced from PubChem (CID 143014602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).