tert-butyl N-[2-cyclopropyl-2-(pentylamino)propyl]carbamate

C16H32N2O2 — CID 103790497

IUPACtert-butyl N-[2-cyclopropyl-2-(pentylamino)propyl]carbamate
SMILESCCCCCNC(C)(CNC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C16H32N2O2/c1-6-7-8-11-18-16(5,13-9-10-13)12-17-14(19)20-15(2,3)4/h13,18H,6-12H2,1-5H3,(H,17,19)
InChIKeyOXTNJJTVRJZJAQ-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.46
Rot. Bonds8

About tert-butyl N-[2-cyclopropyl-2-(pentylamino)propyl]carbamate

tert-butyl N-[2-cyclopropyl-2-(pentylamino)propyl]carbamate (PubChem CID 103790497) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is tert-butyl N-[2-cyclopropyl-2-(pentylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-cyclopropyl-2-(pentylamino)propyl]carbamate
PubChem CID103790497
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nametert-butyl N-[2-cyclopropyl-2-(pentylamino)propyl]carbamate
SMILESCCCCCNC(C)(CNC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C16H32N2O2/c1-6-7-8-11-18-16(5,13-9-10-13)12-17-14(19)20-15(2,3)4/h13,18H,6-12H2,1-5H3,(H,17,19)
InChIKeyOXTNJJTVRJZJAQ-UHFFFAOYSA-N
XLogP3.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-cyclopropyl-2-(heptylamino)propyl]carbamate
CID 107252058
tert-butyl N-[2-(butylamino)-2-cyclopropylpropyl]carbamate
CID 103761015
tert-butyl N-[2-(3-aminopropylamino)-2-cyclopropylpropyl]carbamate
CID 107252066
tert-butyl N-[2-cyclopropyl-2-(ethylamino)propyl]carbamate
CID 103790492
tert-butyl N-[2-cyclopropyl-2-(3,3-dimethylbutylamino)propyl]carbamate
CID 103790504
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640
tert-butyl N-[2-(azetidin-3-ylamino)-2-cyclopropylpropyl]carbamate
CID 107252054
tert-butyl N-[3-(pentylamino)cyclopentyl]carbamate
CID 79462575
tert-butyl N-nonylcarbamate;ethane
CID 168941348
2-(cyclopropylmethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]octanoic acid
CID 106490219
tert-butyl N-[3-(dodecylamino)-2,2-dimethyl-3-oxopropyl]carbamate
CID 135363819
tert-butyl N-[4-(hexylamino)cyclohexyl]carbamate
CID 79113104

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-cyclopropyl-2-(pentylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-cyclopropyl-2-(pentylamino)propyl]carbamate (CID 103790497) is tert-butyl N-[2-cyclopropyl-2-(pentylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-cyclopropyl-2-(pentylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-cyclopropyl-2-(pentylamino)propyl]carbamate is CCCCCNC(C)(CNC(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl N-[2-cyclopropyl-2-(pentylamino)propyl]carbamate?
The InChIKey is OXTNJJTVRJZJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-6-7-8-11-18-16(5,13-9-10-13)12-17-14(19)20-15(2,3)4/h13,18H,6-12H2,1-5H3,(H,17,19).
What are the key properties of tert-butyl N-[2-cyclopropyl-2-(pentylamino)propyl]carbamate?
tert-butyl N-[2-cyclopropyl-2-(pentylamino)propyl]carbamate has a molecular weight of 284.44 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-cyclopropyl-2-(pentylamino)propyl]carbamate is sourced from PubChem (CID 103790497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).