tert-butyl N-[4-amino-3-(4-cyclopropylpiperazin-1-yl)butyl]carbamate

C16H32N4O2 — CID 102729770

IUPACtert-butyl N-[4-amino-3-(4-cyclopropylpiperazin-1-yl)butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(CN)N1CCN(C2CC2)CC1
InChIInChI=1S/C16H32N4O2/c1-16(2,3)22-15(21)18-7-6-14(12-17)20-10-8-19(9-11-20)13-4-5-13/h13-14H,4-12,17H2,1-3H3,(H,18,21)
InChIKeyJPHYSOCYXQFAHY-UHFFFAOYSA-N
MW312.46 g/mol
LogP1.01
Rot. Bonds6

About tert-butyl N-[4-amino-3-(4-cyclopropylpiperazin-1-yl)butyl]carbamate

tert-butyl N-[4-amino-3-(4-cyclopropylpiperazin-1-yl)butyl]carbamate (PubChem CID 102729770) has the molecular formula C16H32N4O2 and a molecular weight of 312.46 g/mol. Its IUPAC name is tert-butyl N-[4-amino-3-(4-cyclopropylpiperazin-1-yl)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-amino-3-(4-cyclopropylpiperazin-1-yl)butyl]carbamate
PubChem CID102729770
Molecular FormulaC16H32N4O2
Molecular Weight312.46 g/mol
Exact Mass312.25
IUPAC Nametert-butyl N-[4-amino-3-(4-cyclopropylpiperazin-1-yl)butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(CN)N1CCN(C2CC2)CC1
InChIInChI=1S/C16H32N4O2/c1-16(2,3)22-15(21)18-7-6-14(12-17)20-10-8-19(9-11-20)13-4-5-13/h13-14H,4-12,17H2,1-3H3,(H,18,21)
InChIKeyJPHYSOCYXQFAHY-UHFFFAOYSA-N
XLogP1.01
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[4-amino-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butyl]carbamate
CID 102730293
tert-butyl N-(4-amino-3-piperidin-1-ylbutyl)carbamate
CID 102729464
tert-butyl N-[4-amino-3-[3-(diethylamino)pyrrolidin-1-yl]butyl]carbamate
CID 102730052
tert-butyl N-[4-amino-3-(2,2-dimethylmorpholin-4-yl)butyl]carbamate
CID 102729629
tert-butyl N-[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-aminobutyl]carbamate
CID 102730168
tert-butyl N-[4-amino-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butyl]carbamate
CID 102730006
tert-butyl N-[3-amino-2-(azocan-1-yl)propyl]carbamate
CID 102729511
tert-butyl N-[4-amino-3-(2,3,5-trimethylpiperidin-1-yl)butyl]carbamate
CID 102730533
tert-butyl N-[3-amino-2-(3-propan-2-ylpyrrolidin-1-yl)propyl]carbamate
CID 102730438
tert-butyl N-(3-amino-2-thiomorpholin-4-ylpropyl)carbamate
CID 102729505
tert-butyl N-[4-amino-3-(cyclopentylamino)butyl]carbamate
CID 102730201
tert-butyl N-(3-amino-2-morpholin-4-ylpropyl)carbamate
CID 102729414

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-amino-3-(4-cyclopropylpiperazin-1-yl)butyl]carbamate?
The IUPAC name of tert-butyl N-[4-amino-3-(4-cyclopropylpiperazin-1-yl)butyl]carbamate (CID 102729770) is tert-butyl N-[4-amino-3-(4-cyclopropylpiperazin-1-yl)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-amino-3-(4-cyclopropylpiperazin-1-yl)butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-amino-3-(4-cyclopropylpiperazin-1-yl)butyl]carbamate is CC(C)(C)OC(=O)NCCC(CN)N1CCN(C2CC2)CC1.
What is the InChIKey of tert-butyl N-[4-amino-3-(4-cyclopropylpiperazin-1-yl)butyl]carbamate?
The InChIKey is JPHYSOCYXQFAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O2/c1-16(2,3)22-15(21)18-7-6-14(12-17)20-10-8-19(9-11-20)13-4-5-13/h13-14H,4-12,17H2,1-3H3,(H,18,21).
What are the key properties of tert-butyl N-[4-amino-3-(4-cyclopropylpiperazin-1-yl)butyl]carbamate?
tert-butyl N-[4-amino-3-(4-cyclopropylpiperazin-1-yl)butyl]carbamate has a molecular weight of 312.46 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-amino-3-(4-cyclopropylpiperazin-1-yl)butyl]carbamate is sourced from PubChem (CID 102729770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).