tert-butyl N-[4-amino-3-[cyclobutyl(methyl)amino]butan-2-yl]carbamate

C14H29N3O2 — CID 102730487

IUPACtert-butyl N-[4-amino-3-[cyclobutyl(methyl)amino]butan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(CN)N(C)C1CCC1
InChIInChI=1S/C14H29N3O2/c1-10(16-13(18)19-14(2,3)4)12(9-15)17(5)11-7-6-8-11/h10-12H,6-9,15H2,1-5H3,(H,16,18)
InChIKeySNXFGQZFBCDRRM-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.71
Rot. Bonds5

About tert-butyl N-[4-amino-3-[cyclobutyl(methyl)amino]butan-2-yl]carbamate

tert-butyl N-[4-amino-3-[cyclobutyl(methyl)amino]butan-2-yl]carbamate (PubChem CID 102730487) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is tert-butyl N-[4-amino-3-[cyclobutyl(methyl)amino]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-amino-3-[cyclobutyl(methyl)amino]butan-2-yl]carbamate
PubChem CID102730487
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Nametert-butyl N-[4-amino-3-[cyclobutyl(methyl)amino]butan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(CN)N(C)C1CCC1
InChIInChI=1S/C14H29N3O2/c1-10(16-13(18)19-14(2,3)4)12(9-15)17(5)11-7-6-8-11/h10-12H,6-9,15H2,1-5H3,(H,16,18)
InChIKeySNXFGQZFBCDRRM-UHFFFAOYSA-N
XLogP1.71
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-amino-3-[cycloheptyl(methyl)amino]butan-2-yl]carbamate
CID 102729640
tert-butyl N-[4-amino-3-[methyl(oxolan-2-ylmethyl)amino]butan-2-yl]carbamate
CID 102729742
tert-butyl N-[3-amino-2-[cyclobutyl(methyl)amino]propyl]carbamate
CID 102730486
tert-butyl N-[4-amino-3-[benzyl(cyclopropyl)amino]butan-2-yl]carbamate
CID 131010587
tert-butyl N-[3-amino-2-[cyclopropyl(methyl)amino]propyl]carbamate
CID 102729530
tert-butyl N-[4-amino-3-[ethyl(2-ethylbutyl)amino]butan-2-yl]carbamate
CID 102729760
tert-butyl N-[1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl]carbamate
CID 24688604
tert-butyl N-[4-amino-3-[methyl-[(4-methylphenyl)methyl]amino]butan-2-yl]carbamate
CID 102729509
tert-butyl N-[4-amino-3-(4-propan-2-ylpiperidin-1-yl)butan-2-yl]carbamate
CID 103494649
tert-butyl N-[4-amino-3-(4-propan-2-ylazepan-1-yl)butan-2-yl]carbamate
CID 102730149
tert-butyl N-[4-amino-3-[2-ethoxyethyl(ethyl)amino]butan-2-yl]carbamate
CID 102730097
tert-butyl N-[1-[cyclohexyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 167722513

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-amino-3-[cyclobutyl(methyl)amino]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-amino-3-[cyclobutyl(methyl)amino]butan-2-yl]carbamate (CID 102730487) is tert-butyl N-[4-amino-3-[cyclobutyl(methyl)amino]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-amino-3-[cyclobutyl(methyl)amino]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-amino-3-[cyclobutyl(methyl)amino]butan-2-yl]carbamate is CC(NC(=O)OC(C)(C)C)C(CN)N(C)C1CCC1.
What is the InChIKey of tert-butyl N-[4-amino-3-[cyclobutyl(methyl)amino]butan-2-yl]carbamate?
The InChIKey is SNXFGQZFBCDRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-10(16-13(18)19-14(2,3)4)12(9-15)17(5)11-7-6-8-11/h10-12H,6-9,15H2,1-5H3,(H,16,18).
What are the key properties of tert-butyl N-[4-amino-3-[cyclobutyl(methyl)amino]butan-2-yl]carbamate?
tert-butyl N-[4-amino-3-[cyclobutyl(methyl)amino]butan-2-yl]carbamate has a molecular weight of 271.40 g/mol, XLogP of 1.71, 5 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-[cyclobutyl(methyl)amino]butan-2-yl]carbamate is sourced from PubChem (CID 102730487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).