trans-(1S,2S)-2-cyclopropyl-N-[2-(propylamino)ethyl]cyclopropane-1-carboxamide

C12H22N2O — CID 99776434

IUPACtrans-(1S,2S)-2-cyclopropyl-N-[2-(propylamino)ethyl]cyclopropane-1-carboxamide
SMILESCCCNCCNC(=O)[C@H]1C[C@H]1C1CC1
InChIInChI=1S/C12H22N2O/c1-2-5-13-6-7-14-12(15)11-8-10(11)9-3-4-9/h9-11,13H,2-8H2,1H3,(H,14,15)/t10-,11-/m0/s1
InChIKeyRSZFGIRZCKWPBF-QWRGUYRKSA-N
MW210.32 g/mol
LogP1.15
Rot. Bonds7

About trans-(1S,2S)-2-cyclopropyl-N-[2-(propylamino)ethyl]cyclopropane-1-carboxamide

trans-(1S,2S)-2-cyclopropyl-N-[2-(propylamino)ethyl]cyclopropane-1-carboxamide (PubChem CID 99776434) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is trans-(1S,2S)-2-cyclopropyl-N-[2-(propylamino)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-cyclopropyl-N-[2-(propylamino)ethyl]cyclopropane-1-carboxamide
PubChem CID99776434
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Nametrans-(1S,2S)-2-cyclopropyl-N-[2-(propylamino)ethyl]cyclopropane-1-carboxamide
SMILESCCCNCCNC(=O)[C@H]1C[C@H]1C1CC1
InChIInChI=1S/C12H22N2O/c1-2-5-13-6-7-14-12(15)11-8-10(11)9-3-4-9/h9-11,13H,2-8H2,1H3,(H,14,15)/t10-,11-/m0/s1
InChIKeyRSZFGIRZCKWPBF-QWRGUYRKSA-N
XLogP1.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-cyclopropyl-N-[2-(propylamino)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-cyclopropyl-N-[2-(propylamino)ethyl]cyclopropane-1-carboxamide (CID 99776434) is trans-(1S,2S)-2-cyclopropyl-N-[2-(propylamino)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-cyclopropyl-N-[2-(propylamino)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-cyclopropyl-N-[2-(propylamino)ethyl]cyclopropane-1-carboxamide is CCCNCCNC(=O)[C@H]1C[C@H]1C1CC1.
What is the InChIKey of trans-(1S,2S)-2-cyclopropyl-N-[2-(propylamino)ethyl]cyclopropane-1-carboxamide?
The InChIKey is RSZFGIRZCKWPBF-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H22N2O/c1-2-5-13-6-7-14-12(15)11-8-10(11)9-3-4-9/h9-11,13H,2-8H2,1H3,(H,14,15)/t10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-cyclopropyl-N-[2-(propylamino)ethyl]cyclopropane-1-carboxamide?
trans-(1S,2S)-2-cyclopropyl-N-[2-(propylamino)ethyl]cyclopropane-1-carboxamide has a molecular weight of 210.32 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-cyclopropyl-N-[2-(propylamino)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 99776434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).