tert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cycloheptyl]carbamate

C17H34N2O3 — CID 103082529

IUPACtert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cycloheptyl]carbamate
SMILESCOCC(C)CNC1CCCCCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C17H34N2O3/c1-13(12-21-5)11-18-14-9-7-6-8-10-15(14)19-16(20)22-17(2,3)4/h13-15,18H,6-12H2,1-5H3,(H,19,20)
InChIKeyCVISHQCLOJHUCN-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.08
Rot. Bonds6

About tert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cycloheptyl]carbamate

tert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cycloheptyl]carbamate (PubChem CID 103082529) has the molecular formula C17H34N2O3 and a molecular weight of 314.47 g/mol. Its IUPAC name is tert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cycloheptyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cycloheptyl]carbamate
PubChem CID103082529
Molecular FormulaC17H34N2O3
Molecular Weight314.47 g/mol
Exact Mass314.26
IUPAC Nametert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cycloheptyl]carbamate
SMILESCOCC(C)CNC1CCCCCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C17H34N2O3/c1-13(12-21-5)11-18-14-9-7-6-8-10-15(14)19-16(20)22-17(2,3)4/h13-15,18H,6-12H2,1-5H3,(H,19,20)
InChIKeyCVISHQCLOJHUCN-UHFFFAOYSA-N
XLogP3.08
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cycloheptyl]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-(2-methylpropylamino)cycloheptyl]carbamate
CID 103082504
tert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cyclopropyl]carbamate
CID 107238325
tert-butyl N-[2-(2,2-dimethoxyethylamino)cycloheptyl]carbamate
CID 107244083
tert-butyl N-[2-(2,2-dimethoxyethylamino)cyclopentyl]carbamate
CID 107243618
tert-butyl N-[2-(cyclopropylmethylamino)cycloheptyl]carbamate
CID 103082520
tert-butyl N-[(1R,2S)-2-[[(2R)-2-morpholin-4-ylpropyl]amino]cycloheptyl]carbamate
CID 124868723
tert-butyl N-[(1S,2R)-2-(propan-2-ylamino)cyclohexyl]carbamate
CID 96555526
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]acetic acid
CID 21251921
tert-butyl N-[2-(1-cyclopropylethylamino)cycloheptyl]carbamate
CID 103082516
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptyl]amino]propanoic acid
CID 107244084
tert-butyl N-[2-(heptylamino)cycloheptyl]carbamate
CID 107244101
tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate
CID 163904666

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cycloheptyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cycloheptyl]carbamate (CID 103082529) is tert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cycloheptyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cycloheptyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cycloheptyl]carbamate is COCC(C)CNC1CCCCCC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cycloheptyl]carbamate?
The InChIKey is CVISHQCLOJHUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O3/c1-13(12-21-5)11-18-14-9-7-6-8-10-15(14)19-16(20)22-17(2,3)4/h13-15,18H,6-12H2,1-5H3,(H,19,20).
What are the key properties of tert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cycloheptyl]carbamate?
tert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cycloheptyl]carbamate has a molecular weight of 314.47 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cycloheptyl]carbamate is sourced from PubChem (CID 103082529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).