tert-butyl N-[3-amino-2-[2-methylpropyl(propan-2-yl)amino]propyl]carbamate

C15H33N3O2 — CID 102729846

IUPACtert-butyl N-[3-amino-2-[2-methylpropyl(propan-2-yl)amino]propyl]carbamate
SMILESCC(C)CN(C(C)C)C(CN)CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H33N3O2/c1-11(2)10-18(12(3)4)13(8-16)9-17-14(19)20-15(5,6)7/h11-13H,8-10,16H2,1-7H3,(H,17,19)
InChIKeyRIBDPZGMVTXRKL-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.20
Rot. Bonds7

About tert-butyl N-[3-amino-2-[2-methylpropyl(propan-2-yl)amino]propyl]carbamate

tert-butyl N-[3-amino-2-[2-methylpropyl(propan-2-yl)amino]propyl]carbamate (PubChem CID 102729846) has the molecular formula C15H33N3O2 and a molecular weight of 287.45 g/mol. Its IUPAC name is tert-butyl N-[3-amino-2-[2-methylpropyl(propan-2-yl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-amino-2-[2-methylpropyl(propan-2-yl)amino]propyl]carbamate
PubChem CID102729846
Molecular FormulaC15H33N3O2
Molecular Weight287.45 g/mol
Exact Mass287.26
IUPAC Nametert-butyl N-[3-amino-2-[2-methylpropyl(propan-2-yl)amino]propyl]carbamate
SMILESCC(C)CN(C(C)C)C(CN)CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H33N3O2/c1-11(2)10-18(12(3)4)13(8-16)9-17-14(19)20-15(5,6)7/h11-13H,8-10,16H2,1-7H3,(H,17,19)
InChIKeyRIBDPZGMVTXRKL-UHFFFAOYSA-N
XLogP2.20
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-amino-2-[2-methoxyethyl(propan-2-yl)amino]propyl]carbamate
CID 102730394
tert-butyl N-[4-amino-3-[bis(2-methylpropyl)amino]butyl]carbamate
CID 102729674
tert-butyl N-[3-amino-2-[cyclopropyl(3-methylbutyl)amino]propyl]carbamate
CID 102729861
tert-butyl N-[3-amino-2-[cyclopropyl(methyl)amino]propyl]carbamate
CID 102729530
tert-butyl N-[3-amino-2-[cyclobutyl(methyl)amino]propyl]carbamate
CID 102730486
tert-butyl N-(3-amino-2-iodopropyl)carbamate
CID 118190466
tert-butyl N-(2-amino-3-methylbutyl)carbamate
CID 71437538
tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride
CID 53484846
tert-butyl N-[3-amino-2-[methyl-(1-methylpiperidin-4-yl)amino]propyl]carbamate
CID 102729450
tert-butyl N-(1-aminopropan-2-ylamino)carbamate
CID 107237265
tert-butyl N-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]carbamate
CID 86653692

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-amino-2-[2-methylpropyl(propan-2-yl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-amino-2-[2-methylpropyl(propan-2-yl)amino]propyl]carbamate (CID 102729846) is tert-butyl N-[3-amino-2-[2-methylpropyl(propan-2-yl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-amino-2-[2-methylpropyl(propan-2-yl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-amino-2-[2-methylpropyl(propan-2-yl)amino]propyl]carbamate is CC(C)CN(C(C)C)C(CN)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-amino-2-[2-methylpropyl(propan-2-yl)amino]propyl]carbamate?
The InChIKey is RIBDPZGMVTXRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O2/c1-11(2)10-18(12(3)4)13(8-16)9-17-14(19)20-15(5,6)7/h11-13H,8-10,16H2,1-7H3,(H,17,19).
What are the key properties of tert-butyl N-[3-amino-2-[2-methylpropyl(propan-2-yl)amino]propyl]carbamate?
tert-butyl N-[3-amino-2-[2-methylpropyl(propan-2-yl)amino]propyl]carbamate has a molecular weight of 287.45 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-amino-2-[2-methylpropyl(propan-2-yl)amino]propyl]carbamate is sourced from PubChem (CID 102729846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).