tert-butyl N-cyclopropyl-N-[3-(prop-2-ynylamino)propyl]carbamate

C14H24N2O2 — CID 107242920

IUPACtert-butyl N-cyclopropyl-N-[3-(prop-2-ynylamino)propyl]carbamate
SMILESC#CCNCCCN(C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C14H24N2O2/c1-5-9-15-10-6-11-16(12-7-8-12)13(17)18-14(2,3)4/h1,12,15H,6-11H2,2-4H3
InChIKeyOGKRGVLJEMEIMF-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.00
Rot. Bonds6

About tert-butyl N-cyclopropyl-N-[3-(prop-2-ynylamino)propyl]carbamate

tert-butyl N-cyclopropyl-N-[3-(prop-2-ynylamino)propyl]carbamate (PubChem CID 107242920) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is tert-butyl N-cyclopropyl-N-[3-(prop-2-ynylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclopropyl-N-[3-(prop-2-ynylamino)propyl]carbamate
PubChem CID107242920
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Nametert-butyl N-cyclopropyl-N-[3-(prop-2-ynylamino)propyl]carbamate
SMILESC#CCNCCCN(C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C14H24N2O2/c1-5-9-15-10-6-11-16(12-7-8-12)13(17)18-14(2,3)4/h1,12,15H,6-11H2,2-4H3
InChIKeyOGKRGVLJEMEIMF-UHFFFAOYSA-N
XLogP2.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 107242902
tert-butyl N-butyl-N-cyclopropylcarbamate
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tert-butyl N-cyclopropyl-N-[2-(3-methylsulfanylpropylamino)ethyl]carbamate
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tert-butyl N-cyclopropyl-N-[3-[(4-methoxycyclohexyl)amino]propyl]carbamate
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tert-butyl N-cyclopropyl-N-[2-(2-methylpropylamino)ethyl]carbamate
CID 103880529
tert-butyl N-cyclopropyl-N-[3-(1-ethoxypropan-2-ylamino)propyl]carbamate
CID 103781366
tert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]-N-cyclopropylcarbamate
CID 107242908
tert-butyl N-(3-aminopropyl)-N-(4-methylcyclohexyl)carbamate
CID 50987781
tert-butyl N-cyclopropyl-N-[2-(2,2-dimethoxyethylamino)ethyl]carbamate
CID 107246428

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclopropyl-N-[3-(prop-2-ynylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-cyclopropyl-N-[3-(prop-2-ynylamino)propyl]carbamate (CID 107242920) is tert-butyl N-cyclopropyl-N-[3-(prop-2-ynylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-cyclopropyl-N-[3-(prop-2-ynylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-cyclopropyl-N-[3-(prop-2-ynylamino)propyl]carbamate is C#CCNCCCN(C(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl N-cyclopropyl-N-[3-(prop-2-ynylamino)propyl]carbamate?
The InChIKey is OGKRGVLJEMEIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-5-9-15-10-6-11-16(12-7-8-12)13(17)18-14(2,3)4/h1,12,15H,6-11H2,2-4H3.
What are the key properties of tert-butyl N-cyclopropyl-N-[3-(prop-2-ynylamino)propyl]carbamate?
tert-butyl N-cyclopropyl-N-[3-(prop-2-ynylamino)propyl]carbamate has a molecular weight of 252.36 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclopropyl-N-[3-(prop-2-ynylamino)propyl]carbamate is sourced from PubChem (CID 107242920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).