N-prop-2-enyl-N'-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethane-1,2-diamine

C13H26N2 — CID 79350831

IUPACN-prop-2-enyl-N'-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethane-1,2-diamine
SMILESC=CCNCCNCC1C(C)(C)C1(C)C
InChIInChI=1S/C13H26N2/c1-6-7-14-8-9-15-10-11-12(2,3)13(11,4)5/h6,11,14-15H,1,7-10H2,2-5H3
InChIKeyAPYVPWOMSYTDPK-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.03
Rot. Bonds7

About N-prop-2-enyl-N'-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethane-1,2-diamine

N-prop-2-enyl-N'-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethane-1,2-diamine (PubChem CID 79350831) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-prop-2-enyl-N'-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-prop-2-enyl-N'-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethane-1,2-diamine
PubChem CID79350831
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-prop-2-enyl-N'-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethane-1,2-diamine
SMILESC=CCNCCNCC1C(C)(C)C1(C)C
InChIInChI=1S/C13H26N2/c1-6-7-14-8-9-15-10-11-12(2,3)13(11,4)5/h6,11,14-15H,1,7-10H2,2-5H3
InChIKeyAPYVPWOMSYTDPK-UHFFFAOYSA-N
XLogP2.03
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N'-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethane-1,2-diamine?
The IUPAC name of N-prop-2-enyl-N'-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethane-1,2-diamine (CID 79350831) is N-prop-2-enyl-N'-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N-prop-2-enyl-N'-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N-prop-2-enyl-N'-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethane-1,2-diamine is C=CCNCCNCC1C(C)(C)C1(C)C.
What is the InChIKey of N-prop-2-enyl-N'-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethane-1,2-diamine?
The InChIKey is APYVPWOMSYTDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-6-7-14-8-9-15-10-11-12(2,3)13(11,4)5/h6,11,14-15H,1,7-10H2,2-5H3.
What are the key properties of N-prop-2-enyl-N'-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethane-1,2-diamine?
N-prop-2-enyl-N'-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethane-1,2-diamine has a molecular weight of 210.36 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N'-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 79350831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).