N,2-dimethyl-N-[1-(3-propanimidoylcyclopenta-2,4-dien-1-yl)ethyl]propan-1-amine

C15H26N2 — CID 123538088

IUPACN,2-dimethyl-N-[1-(3-propanimidoylcyclopenta-2,4-dien-1-yl)ethyl]propan-1-amine
SMILES[H]/N=C(\CC)C1=CC(C(C)N(C)CC(C)C)C=C1
InChIInChI=1S/C15H26N2/c1-6-15(16)14-8-7-13(9-14)12(4)17(5)10-11(2)3/h7-9,11-13,16H,6,10H2,1-5H3/b16-15+
InChIKeyNERLDWGXNIOOSG-FOCLMDBBSA-N
MW234.39 g/mol
LogP3.50
Rot. Bonds6

About N,2-dimethyl-N-[1-(3-propanimidoylcyclopenta-2,4-dien-1-yl)ethyl]propan-1-amine

N,2-dimethyl-N-[1-(3-propanimidoylcyclopenta-2,4-dien-1-yl)ethyl]propan-1-amine (PubChem CID 123538088) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N,2-dimethyl-N-[1-(3-propanimidoylcyclopenta-2,4-dien-1-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[1-(3-propanimidoylcyclopenta-2,4-dien-1-yl)ethyl]propan-1-amine
PubChem CID123538088
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN,2-dimethyl-N-[1-(3-propanimidoylcyclopenta-2,4-dien-1-yl)ethyl]propan-1-amine
SMILES[H]/N=C(\CC)C1=CC(C(C)N(C)CC(C)C)C=C1
InChIInChI=1S/C15H26N2/c1-6-15(16)14-8-7-13(9-14)12(4)17(5)10-11(2)3/h7-9,11-13,16H,6,10H2,1-5H3/b16-15+
InChIKeyNERLDWGXNIOOSG-FOCLMDBBSA-N
XLogP3.50
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-ethenyl-6-imino-N,N-dimethyloct-3-en-2-amine
CID 123750276
(4E)-4-[[3,4-dimethyl-1-(3-methylbutyl)-2,3-dihydropyrrol-5-yl]methylidene]-3-propan-2-ylidenehex-5-en-2-imine
CID 135294784
6-imino-N,N,3,4-tetramethylcyclohexa-2,4-dien-1-amine
CID 164169978
3-cyclohexa-1,5-dien-1-yl-3-imino-N,N-dimethylpropan-1-amine
CID 144627063

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[1-(3-propanimidoylcyclopenta-2,4-dien-1-yl)ethyl]propan-1-amine?
The IUPAC name of N,2-dimethyl-N-[1-(3-propanimidoylcyclopenta-2,4-dien-1-yl)ethyl]propan-1-amine (CID 123538088) is N,2-dimethyl-N-[1-(3-propanimidoylcyclopenta-2,4-dien-1-yl)ethyl]propan-1-amine.
What is the SMILES notation for N,2-dimethyl-N-[1-(3-propanimidoylcyclopenta-2,4-dien-1-yl)ethyl]propan-1-amine?
The canonical SMILES for N,2-dimethyl-N-[1-(3-propanimidoylcyclopenta-2,4-dien-1-yl)ethyl]propan-1-amine is [H]/N=C(\CC)C1=CC(C(C)N(C)CC(C)C)C=C1.
What is the InChIKey of N,2-dimethyl-N-[1-(3-propanimidoylcyclopenta-2,4-dien-1-yl)ethyl]propan-1-amine?
The InChIKey is NERLDWGXNIOOSG-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H26N2/c1-6-15(16)14-8-7-13(9-14)12(4)17(5)10-11(2)3/h7-9,11-13,16H,6,10H2,1-5H3/b16-15+.
What are the key properties of N,2-dimethyl-N-[1-(3-propanimidoylcyclopenta-2,4-dien-1-yl)ethyl]propan-1-amine?
N,2-dimethyl-N-[1-(3-propanimidoylcyclopenta-2,4-dien-1-yl)ethyl]propan-1-amine has a molecular weight of 234.39 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[1-(3-propanimidoylcyclopenta-2,4-dien-1-yl)ethyl]propan-1-amine is sourced from PubChem (CID 123538088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).