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

C18H36N2O2 — CID 107252058

IUPACtert-butyl N-[2-cyclopropyl-2-(heptylamino)propyl]carbamate
SMILESCCCCCCCNC(C)(CNC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C18H36N2O2/c1-6-7-8-9-10-13-20-18(5,15-11-12-15)14-19-16(21)22-17(2,3)4/h15,20H,6-14H2,1-5H3,(H,19,21)
InChIKeySKOTZXWLPWPMMT-UHFFFAOYSA-N
MW312.50 g/mol
LogP4.24
Rot. Bonds10

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

tert-butyl N-[2-cyclopropyl-2-(heptylamino)propyl]carbamate (PubChem CID 107252058) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is tert-butyl N-[2-cyclopropyl-2-(heptylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-cyclopropyl-2-(heptylamino)propyl]carbamate
PubChem CID107252058
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC Nametert-butyl N-[2-cyclopropyl-2-(heptylamino)propyl]carbamate
SMILESCCCCCCCNC(C)(CNC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C18H36N2O2/c1-6-7-8-9-10-13-20-18(5,15-11-12-15)14-19-16(21)22-17(2,3)4/h15,20H,6-14H2,1-5H3,(H,19,21)
InChIKeySKOTZXWLPWPMMT-UHFFFAOYSA-N
XLogP4.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 54.24
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-(pentylamino)propyl]carbamate
CID 103790497
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-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-pentylcarbamate;bis(pentane)
CID 171066640
tert-butyl N-[2-(azetidin-3-ylamino)-2-cyclopropylpropyl]carbamate
CID 107252054
tert-butyl N-[4-(hexylamino)cyclohexyl]carbamate
CID 79113104
tert-butyl N-[4-(heptylamino)cyclohexyl]carbamate
CID 103947988

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-cyclopropyl-2-(heptylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-cyclopropyl-2-(heptylamino)propyl]carbamate (CID 107252058) is tert-butyl N-[2-cyclopropyl-2-(heptylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-cyclopropyl-2-(heptylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-cyclopropyl-2-(heptylamino)propyl]carbamate is CCCCCCCNC(C)(CNC(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl N-[2-cyclopropyl-2-(heptylamino)propyl]carbamate?
The InChIKey is SKOTZXWLPWPMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-6-7-8-9-10-13-20-18(5,15-11-12-15)14-19-16(21)22-17(2,3)4/h15,20H,6-14H2,1-5H3,(H,19,21).
What are the key properties of tert-butyl N-[2-cyclopropyl-2-(heptylamino)propyl]carbamate?
tert-butyl N-[2-cyclopropyl-2-(heptylamino)propyl]carbamate has a molecular weight of 312.50 g/mol, XLogP of 4.24, 10 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-(heptylamino)propyl]carbamate is sourced from PubChem (CID 107252058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).