tert-butyl N-[2-(4-methylpentan-2-ylamino)cyclopropyl]carbamate

C14H28N2O2 — CID 107238063

IUPACtert-butyl N-[2-(4-methylpentan-2-ylamino)cyclopropyl]carbamate
SMILESCC(C)CC(C)NC1CC1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-9(2)7-10(3)15-11-8-12(11)16-13(17)18-14(4,5)6/h9-12,15H,7-8H2,1-6H3,(H,16,17)
InChIKeyNLZFONGMQPNVSD-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.68
Rot. Bonds5

About tert-butyl N-[2-(4-methylpentan-2-ylamino)cyclopropyl]carbamate

tert-butyl N-[2-(4-methylpentan-2-ylamino)cyclopropyl]carbamate (PubChem CID 107238063) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is tert-butyl N-[2-(4-methylpentan-2-ylamino)cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-methylpentan-2-ylamino)cyclopropyl]carbamate
PubChem CID107238063
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nametert-butyl N-[2-(4-methylpentan-2-ylamino)cyclopropyl]carbamate
SMILESCC(C)CC(C)NC1CC1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-9(2)7-10(3)15-11-8-12(11)16-13(17)18-14(4,5)6/h9-12,15H,7-8H2,1-6H3,(H,16,17)
InChIKeyNLZFONGMQPNVSD-UHFFFAOYSA-N
XLogP2.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(1-methoxypropan-2-ylamino)cyclopropyl]carbamate
CID 107237881
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 N-[3-(4-methylpentan-2-ylamino)cyclopentyl]carbamate
CID 79461433
tert-butyl N-[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopropyl]carbamate
CID 107237914
tert-butyl N-[2-(3-methylbutylamino)cyclopropyl]carbamate
CID 107237740
tert-butyl N-[2-[1-(azepan-2-yl)propan-2-ylamino]cyclopropyl]carbamate
CID 107238327
tert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cyclopropyl]carbamate
CID 107238325
tert-butyl N-[2-(heptan-3-ylamino)cyclopropyl]carbamate
CID 107237772
tert-butyl N-[8-(4-methylpentan-2-ylamino)-2-oxabicyclo[4.2.0]octan-7-yl]carbamate
CID 107255685
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-methylpentan-2-ylamino)cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-methylpentan-2-ylamino)cyclopropyl]carbamate (CID 107238063) is tert-butyl N-[2-(4-methylpentan-2-ylamino)cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-methylpentan-2-ylamino)cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-methylpentan-2-ylamino)cyclopropyl]carbamate is CC(C)CC(C)NC1CC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(4-methylpentan-2-ylamino)cyclopropyl]carbamate?
The InChIKey is NLZFONGMQPNVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-9(2)7-10(3)15-11-8-12(11)16-13(17)18-14(4,5)6/h9-12,15H,7-8H2,1-6H3,(H,16,17).
What are the key properties of tert-butyl N-[2-(4-methylpentan-2-ylamino)cyclopropyl]carbamate?
tert-butyl N-[2-(4-methylpentan-2-ylamino)cyclopropyl]carbamate has a molecular weight of 256.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-methylpentan-2-ylamino)cyclopropyl]carbamate is sourced from PubChem (CID 107238063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).