tert-butyl N-[2-[1-(azepan-2-yl)propan-2-ylamino]cyclopropyl]carbamate

C17H33N3O2 — CID 107238327

IUPACtert-butyl N-[2-[1-(azepan-2-yl)propan-2-ylamino]cyclopropyl]carbamate
SMILESCC(CC1CCCCCN1)NC1CC1NC(=O)OC(C)(C)C
InChIInChI=1S/C17H33N3O2/c1-12(10-13-8-6-5-7-9-18-13)19-14-11-15(14)20-16(21)22-17(2,3)4/h12-15,18-19H,5-11H2,1-4H3,(H,20,21)
InChIKeyZVQNVAJGBXEAJH-UHFFFAOYSA-N
MW311.47 g/mol
LogP2.55
Rot. Bonds5

About tert-butyl N-[2-[1-(azepan-2-yl)propan-2-ylamino]cyclopropyl]carbamate

tert-butyl N-[2-[1-(azepan-2-yl)propan-2-ylamino]cyclopropyl]carbamate (PubChem CID 107238327) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(azepan-2-yl)propan-2-ylamino]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(azepan-2-yl)propan-2-ylamino]cyclopropyl]carbamate
PubChem CID107238327
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Nametert-butyl N-[2-[1-(azepan-2-yl)propan-2-ylamino]cyclopropyl]carbamate
SMILESCC(CC1CCCCCN1)NC1CC1NC(=O)OC(C)(C)C
InChIInChI=1S/C17H33N3O2/c1-12(10-13-8-6-5-7-9-18-13)19-14-11-15(14)20-16(21)22-17(2,3)4/h12-15,18-19H,5-11H2,1-4H3,(H,20,21)
InChIKeyZVQNVAJGBXEAJH-UHFFFAOYSA-N
XLogP2.55
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopropyl]carbamate
CID 107237914
tert-butyl N-[2-(piperidin-2-ylmethylamino)cycloheptyl]carbamate
CID 107244141
tert-butyl N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopentyl]methyl]carbamate
CID 107251471
tert-butyl N-[2-(4-methylpentan-2-ylamino)cyclopropyl]carbamate
CID 107238063
tert-butyl N-[2-(1-methoxypropan-2-ylamino)cyclopropyl]carbamate
CID 107237881
tert-butyl 6-(1-piperidin-2-ylpropan-2-ylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 107238586
tert-butyl N-[2-(hexan-2-ylamino)cyclopropyl]carbamate
CID 107237524
tert-butyl N-[2-(1-methylsulfonylpropan-2-ylamino)cyclopropyl]carbamate
CID 107237655
tert-butyl N-[2-(1-ethoxypropan-2-ylamino)cyclopropyl]carbamate
CID 107238308
tert-butyl 3-(1-piperidin-2-ylpropan-2-ylamino)piperidine-1-carboxylate
CID 107241518
tert-butyl N-[2-(piperidin-2-ylmethylamino)propyl]carbamate
CID 107248267
N-(1-piperidin-2-ylpropan-2-yl)cyclohexanamine
CID 79549011

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(azepan-2-yl)propan-2-ylamino]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(azepan-2-yl)propan-2-ylamino]cyclopropyl]carbamate (CID 107238327) is tert-butyl N-[2-[1-(azepan-2-yl)propan-2-ylamino]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(azepan-2-yl)propan-2-ylamino]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(azepan-2-yl)propan-2-ylamino]cyclopropyl]carbamate is CC(CC1CCCCCN1)NC1CC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[1-(azepan-2-yl)propan-2-ylamino]cyclopropyl]carbamate?
The InChIKey is ZVQNVAJGBXEAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-12(10-13-8-6-5-7-9-18-13)19-14-11-15(14)20-16(21)22-17(2,3)4/h12-15,18-19H,5-11H2,1-4H3,(H,20,21).
What are the key properties of tert-butyl N-[2-[1-(azepan-2-yl)propan-2-ylamino]cyclopropyl]carbamate?
tert-butyl N-[2-[1-(azepan-2-yl)propan-2-ylamino]cyclopropyl]carbamate has a molecular weight of 311.47 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(azepan-2-yl)propan-2-ylamino]cyclopropyl]carbamate is sourced from PubChem (CID 107238327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).