2-butylimino-N-methyl-N-[3-(methylideneamino)propyl]-3,4-dihydro-1H-pyridin-4-amine

C14H26N4 — CID 137257058

IUPAC2-butylimino-N-methyl-N-[3-(methylideneamino)propyl]-3,4-dihydro-1H-pyridin-4-amine
SMILESC=NCCCN(C)C1C=CN/C(=N/CCCC)C1
InChIInChI=1S/C14H26N4/c1-4-5-9-16-14-12-13(7-10-17-14)18(3)11-6-8-15-2/h7,10,13H,2,4-6,8-9,11-12H2,1,3H3,(H,16,17)
InChIKeyISLVMXOJRGHYCN-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.08
Rot. Bonds8

About 2-butylimino-N-methyl-N-[3-(methylideneamino)propyl]-3,4-dihydro-1H-pyridin-4-amine

2-butylimino-N-methyl-N-[3-(methylideneamino)propyl]-3,4-dihydro-1H-pyridin-4-amine (PubChem CID 137257058) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-butylimino-N-methyl-N-[3-(methylideneamino)propyl]-3,4-dihydro-1H-pyridin-4-amine.

Molecular Properties

Compound Name2-butylimino-N-methyl-N-[3-(methylideneamino)propyl]-3,4-dihydro-1H-pyridin-4-amine
PubChem CID137257058
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name2-butylimino-N-methyl-N-[3-(methylideneamino)propyl]-3,4-dihydro-1H-pyridin-4-amine
SMILESC=NCCCN(C)C1C=CN/C(=N/CCCC)C1
InChIInChI=1S/C14H26N4/c1-4-5-9-16-14-12-13(7-10-17-14)18(3)11-6-8-15-2/h7,10,13H,2,4-6,8-9,11-12H2,1,3H3,(H,16,17)
InChIKeyISLVMXOJRGHYCN-UHFFFAOYSA-N
XLogP2.08
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butylimino-N-methyl-N-[3-(methylideneamino)propyl]-3,4-dihydro-1H-pyridin-4-amine?
The IUPAC name of 2-butylimino-N-methyl-N-[3-(methylideneamino)propyl]-3,4-dihydro-1H-pyridin-4-amine (CID 137257058) is 2-butylimino-N-methyl-N-[3-(methylideneamino)propyl]-3,4-dihydro-1H-pyridin-4-amine.
What is the SMILES notation for 2-butylimino-N-methyl-N-[3-(methylideneamino)propyl]-3,4-dihydro-1H-pyridin-4-amine?
The canonical SMILES for 2-butylimino-N-methyl-N-[3-(methylideneamino)propyl]-3,4-dihydro-1H-pyridin-4-amine is C=NCCCN(C)C1C=CN/C(=N/CCCC)C1.
What is the InChIKey of 2-butylimino-N-methyl-N-[3-(methylideneamino)propyl]-3,4-dihydro-1H-pyridin-4-amine?
The InChIKey is ISLVMXOJRGHYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-4-5-9-16-14-12-13(7-10-17-14)18(3)11-6-8-15-2/h7,10,13H,2,4-6,8-9,11-12H2,1,3H3,(H,16,17).
What are the key properties of 2-butylimino-N-methyl-N-[3-(methylideneamino)propyl]-3,4-dihydro-1H-pyridin-4-amine?
2-butylimino-N-methyl-N-[3-(methylideneamino)propyl]-3,4-dihydro-1H-pyridin-4-amine has a molecular weight of 250.39 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylimino-N-methyl-N-[3-(methylideneamino)propyl]-3,4-dihydro-1H-pyridin-4-amine is sourced from PubChem (CID 137257058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).