tert-butyl N-[3-amino-2-(2,2-dicyclopropylethylamino)propyl]carbamate

C16H31N3O2 — CID 102730275

IUPACtert-butyl N-[3-amino-2-(2,2-dicyclopropylethylamino)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(CN)NCC(C1CC1)C1CC1
InChIInChI=1S/C16H31N3O2/c1-16(2,3)21-15(20)19-9-13(8-17)18-10-14(11-4-5-11)12-6-7-12/h11-14,18H,4-10,17H2,1-3H3,(H,19,20)
InChIKeyMEMSUNDLTPPVRD-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.86
Rot. Bonds8

About tert-butyl N-[3-amino-2-(2,2-dicyclopropylethylamino)propyl]carbamate

tert-butyl N-[3-amino-2-(2,2-dicyclopropylethylamino)propyl]carbamate (PubChem CID 102730275) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is tert-butyl N-[3-amino-2-(2,2-dicyclopropylethylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-amino-2-(2,2-dicyclopropylethylamino)propyl]carbamate
PubChem CID102730275
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Nametert-butyl N-[3-amino-2-(2,2-dicyclopropylethylamino)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(CN)NCC(C1CC1)C1CC1
InChIInChI=1S/C16H31N3O2/c1-16(2,3)21-15(20)19-9-13(8-17)18-10-14(11-4-5-11)12-6-7-12/h11-14,18H,4-10,17H2,1-3H3,(H,19,20)
InChIKeyMEMSUNDLTPPVRD-UHFFFAOYSA-N
XLogP1.86
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(3-amino-2-cyclopropylpropyl)carbamate
CID 84723673
tert-butyl N-[(2S)-2-amino-2-cyclopropylethyl]carbamate
CID 67446222
tert-butyl N-[2-(1-cyclopropylethylamino)-4-methylpentyl]carbamate
CID 103729667
tert-butyl N-[2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 67448024
tert-butyl N-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 97300299
methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoate
CID 104578296
tert-butyl N-[2-[1,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-ylamino]ethyl]carbamate
CID 131048509
tert-butyl N-(3-amino-2-iodopropyl)carbamate
CID 118190466
tert-butyl N-[2-(1-cyclopropylethylamino)hexyl]carbamate
CID 103788606
tert-butyl N-[2-(butan-2-ylamino)-2-cyclopropylethyl]carbamate
CID 103785747
tert-butyl N-[3-amino-2-[cyclopropyl(methyl)amino]propyl]carbamate
CID 102729530
methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]butanoate
CID 104578291

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-amino-2-(2,2-dicyclopropylethylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-amino-2-(2,2-dicyclopropylethylamino)propyl]carbamate (CID 102730275) is tert-butyl N-[3-amino-2-(2,2-dicyclopropylethylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-amino-2-(2,2-dicyclopropylethylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-amino-2-(2,2-dicyclopropylethylamino)propyl]carbamate is CC(C)(C)OC(=O)NCC(CN)NCC(C1CC1)C1CC1.
What is the InChIKey of tert-butyl N-[3-amino-2-(2,2-dicyclopropylethylamino)propyl]carbamate?
The InChIKey is MEMSUNDLTPPVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-16(2,3)21-15(20)19-9-13(8-17)18-10-14(11-4-5-11)12-6-7-12/h11-14,18H,4-10,17H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[3-amino-2-(2,2-dicyclopropylethylamino)propyl]carbamate?
tert-butyl N-[3-amino-2-(2,2-dicyclopropylethylamino)propyl]carbamate has a molecular weight of 297.44 g/mol, XLogP of 1.86, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-amino-2-(2,2-dicyclopropylethylamino)propyl]carbamate is sourced from PubChem (CID 102730275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).