tert-butyl N-[2-(heptan-3-ylamino)cyclopropyl]carbamate

C15H30N2O2 — CID 107237772

IUPACtert-butyl N-[2-(heptan-3-ylamino)cyclopropyl]carbamate
SMILESCCCCC(CC)NC1CC1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O2/c1-6-8-9-11(7-2)16-12-10-13(12)17-14(18)19-15(3,4)5/h11-13,16H,6-10H2,1-5H3,(H,17,18)
InChIKeyOQXKTVHRSDEMNV-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.21
Rot. Bonds7

About tert-butyl N-[2-(heptan-3-ylamino)cyclopropyl]carbamate

tert-butyl N-[2-(heptan-3-ylamino)cyclopropyl]carbamate (PubChem CID 107237772) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is tert-butyl N-[2-(heptan-3-ylamino)cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(heptan-3-ylamino)cyclopropyl]carbamate
PubChem CID107237772
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nametert-butyl N-[2-(heptan-3-ylamino)cyclopropyl]carbamate
SMILESCCCCC(CC)NC1CC1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O2/c1-6-8-9-11(7-2)16-12-10-13(12)17-14(18)19-15(3,4)5/h11-13,16H,6-10H2,1-5H3,(H,17,18)
InChIKeyOQXKTVHRSDEMNV-UHFFFAOYSA-N
XLogP3.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(hexan-2-ylamino)cyclopropyl]carbamate
CID 107237524
tert-butyl (4S)-3-(heptan-3-ylamino)-4-methoxypyrrolidine-1-carboxylate
CID 107244773
tert-butyl N-[2-(4-methylpentan-2-ylamino)cyclopropyl]carbamate
CID 107238063
tert-butyl N-decan-5-ylcarbamate
CID 174754300
tert-butyl N-[2-(1-ethoxypropan-2-ylamino)cyclopropyl]carbamate
CID 107238308
tert-butyl N-[2-(1-methoxypropan-2-ylamino)cyclopropyl]carbamate
CID 107237881
tert-butyl N-[4-(heptan-3-ylamino)butan-2-yl]carbamate
CID 103901691
tert-butyl N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]cyclopropyl]carbamate
CID 107237567
tert-butyl N-[2-(3-methylbutylamino)cyclopropyl]carbamate
CID 107237740
tert-butyl N-[2-(1-methylsulfonylpropan-2-ylamino)cyclopropyl]carbamate
CID 107237655
tert-butyl N-(3,3-dideuteriooctan-4-yl)carbamate
CID 175838428
tert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)hexyl]carbamate
CID 107256493

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(heptan-3-ylamino)cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-(heptan-3-ylamino)cyclopropyl]carbamate (CID 107237772) is tert-butyl N-[2-(heptan-3-ylamino)cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(heptan-3-ylamino)cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(heptan-3-ylamino)cyclopropyl]carbamate is CCCCC(CC)NC1CC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(heptan-3-ylamino)cyclopropyl]carbamate?
The InChIKey is OQXKTVHRSDEMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-6-8-9-11(7-2)16-12-10-13(12)17-14(18)19-15(3,4)5/h11-13,16H,6-10H2,1-5H3,(H,17,18).
What are the key properties of tert-butyl N-[2-(heptan-3-ylamino)cyclopropyl]carbamate?
tert-butyl N-[2-(heptan-3-ylamino)cyclopropyl]carbamate has a molecular weight of 270.42 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(heptan-3-ylamino)cyclopropyl]carbamate is sourced from PubChem (CID 107237772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).