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

C17H35N3O2 — CID 102729640

IUPACtert-butyl N-[4-amino-3-[cycloheptyl(methyl)amino]butan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(CN)N(C)C1CCCCCC1
InChIInChI=1S/C17H35N3O2/c1-13(19-16(21)22-17(2,3)4)15(12-18)20(5)14-10-8-6-7-9-11-14/h13-15H,6-12,18H2,1-5H3,(H,19,21)
InChIKeyLGKYWTASUDLVRT-UHFFFAOYSA-N
MW313.49 g/mol
LogP2.88
Rot. Bonds5

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

tert-butyl N-[4-amino-3-[cycloheptyl(methyl)amino]butan-2-yl]carbamate (PubChem CID 102729640) has the molecular formula C17H35N3O2 and a molecular weight of 313.49 g/mol. Its IUPAC name is tert-butyl N-[4-amino-3-[cycloheptyl(methyl)amino]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-amino-3-[cycloheptyl(methyl)amino]butan-2-yl]carbamate
PubChem CID102729640
Molecular FormulaC17H35N3O2
Molecular Weight313.49 g/mol
Exact Mass313.27
IUPAC Nametert-butyl N-[4-amino-3-[cycloheptyl(methyl)amino]butan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(CN)N(C)C1CCCCCC1
InChIInChI=1S/C17H35N3O2/c1-13(19-16(21)22-17(2,3)4)15(12-18)20(5)14-10-8-6-7-9-11-14/h13-15H,6-12,18H2,1-5H3,(H,19,21)
InChIKeyLGKYWTASUDLVRT-UHFFFAOYSA-N
XLogP2.88
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-amino-3-[cyclobutyl(methyl)amino]butan-2-yl]carbamate
CID 102730487
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-[1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl]carbamate
CID 24688604
tert-butyl N-[1-[cyclohexyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 167722513
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-[1-cyclohexyl-1-(ethylamino)propan-2-yl]carbamate
CID 69262935
tert-butyl N-[4-amino-3-[ethyl(2-ethylbutyl)amino]butan-2-yl]carbamate
CID 102729760
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-(2-propylpiperidin-1-yl)butan-2-yl]carbamate
CID 102730414

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-amino-3-[cycloheptyl(methyl)amino]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-amino-3-[cycloheptyl(methyl)amino]butan-2-yl]carbamate (CID 102729640) is tert-butyl N-[4-amino-3-[cycloheptyl(methyl)amino]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-amino-3-[cycloheptyl(methyl)amino]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-amino-3-[cycloheptyl(methyl)amino]butan-2-yl]carbamate is CC(NC(=O)OC(C)(C)C)C(CN)N(C)C1CCCCCC1.
What is the InChIKey of tert-butyl N-[4-amino-3-[cycloheptyl(methyl)amino]butan-2-yl]carbamate?
The InChIKey is LGKYWTASUDLVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O2/c1-13(19-16(21)22-17(2,3)4)15(12-18)20(5)14-10-8-6-7-9-11-14/h13-15H,6-12,18H2,1-5H3,(H,19,21).
What are the key properties of tert-butyl N-[4-amino-3-[cycloheptyl(methyl)amino]butan-2-yl]carbamate?
tert-butyl N-[4-amino-3-[cycloheptyl(methyl)amino]butan-2-yl]carbamate has a molecular weight of 313.49 g/mol, XLogP of 2.88, 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-[cycloheptyl(methyl)amino]butan-2-yl]carbamate is sourced from PubChem (CID 102729640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).