tert-butyl N-[4-amino-3-[benzyl(cyclopropyl)amino]butyl]carbamate

C19H31N3O2 — CID 130935352

IUPACtert-butyl N-[4-amino-3-[benzyl(cyclopropyl)amino]butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(CN)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C19H31N3O2/c1-19(2,3)24-18(23)21-12-11-17(13-20)22(16-9-10-16)14-15-7-5-4-6-8-15/h4-8,16-17H,9-14,20H2,1-3H3,(H,21,23)
InChIKeyOQHTYCSYBFZSAX-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.89
Rot. Bonds8

About tert-butyl N-[4-amino-3-[benzyl(cyclopropyl)amino]butyl]carbamate

tert-butyl N-[4-amino-3-[benzyl(cyclopropyl)amino]butyl]carbamate (PubChem CID 130935352) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is tert-butyl N-[4-amino-3-[benzyl(cyclopropyl)amino]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-amino-3-[benzyl(cyclopropyl)amino]butyl]carbamate
PubChem CID130935352
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Nametert-butyl N-[4-amino-3-[benzyl(cyclopropyl)amino]butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(CN)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C19H31N3O2/c1-19(2,3)24-18(23)21-12-11-17(13-20)22(16-9-10-16)14-15-7-5-4-6-8-15/h4-8,16-17H,9-14,20H2,1-3H3,(H,21,23)
InChIKeyOQHTYCSYBFZSAX-UHFFFAOYSA-N
XLogP2.89
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-amino-3-[benzyl(cyclopropyl)amino]butan-2-yl]carbamate
CID 131010587
tert-butyl N-[4-amino-3-[methyl-[(2-methylphenyl)methyl]amino]butyl]carbamate
CID 102729680
tert-butyl N-[4-amino-3-[benzyl(methyl)amino]-2-methylbutyl]carbamate
CID 130604556
tert-butyl N-[3-amino-2-[cyclopropyl(3-methylbutyl)amino]propyl]carbamate
CID 102729861
tert-butyl N-[4-amino-3-[ethyl(pyridin-4-ylmethyl)amino]butyl]carbamate
CID 102729788
tert-butyl N-[3-amino-2-[cyclopropyl(methyl)amino]propyl]carbamate
CID 102729530
benzyl-[(3R)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-3-yl]carbamic acid
CID 135311122
benzyl-[(2S)-1-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamic acid
CID 67188552
tert-butyl N-[4-amino-3-(4-ethyl-N-methylanilino)butyl]carbamate
CID 102729926
tert-butyl N-[3-amino-2-[methyl(2-phenylmethoxyethyl)amino]propyl]carbamate
CID 131008134
tert-butyl N-[2-[[benzyl(propan-2-yl)carbamoyl]amino]ethyl]carbamate
CID 108864351
tert-butyl N-[4-amino-3-[methyl(thiolan-3-yl)amino]butyl]carbamate
CID 102729571

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-amino-3-[benzyl(cyclopropyl)amino]butyl]carbamate?
The IUPAC name of tert-butyl N-[4-amino-3-[benzyl(cyclopropyl)amino]butyl]carbamate (CID 130935352) is tert-butyl N-[4-amino-3-[benzyl(cyclopropyl)amino]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-amino-3-[benzyl(cyclopropyl)amino]butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-amino-3-[benzyl(cyclopropyl)amino]butyl]carbamate is CC(C)(C)OC(=O)NCCC(CN)N(Cc1ccccc1)C1CC1.
What is the InChIKey of tert-butyl N-[4-amino-3-[benzyl(cyclopropyl)amino]butyl]carbamate?
The InChIKey is OQHTYCSYBFZSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-19(2,3)24-18(23)21-12-11-17(13-20)22(16-9-10-16)14-15-7-5-4-6-8-15/h4-8,16-17H,9-14,20H2,1-3H3,(H,21,23).
What are the key properties of tert-butyl N-[4-amino-3-[benzyl(cyclopropyl)amino]butyl]carbamate?
tert-butyl N-[4-amino-3-[benzyl(cyclopropyl)amino]butyl]carbamate has a molecular weight of 333.48 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-amino-3-[benzyl(cyclopropyl)amino]butyl]carbamate is sourced from PubChem (CID 130935352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).