N,N,N'-trimethyl-N'-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]ethane-1,2-diamine

C15H28N4 — CID 80635878

IUPACN,N,N'-trimethyl-N'-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]ethane-1,2-diamine
SMILESCCCNCc1cnc(N(C)CCN(C)C)c(C)c1
InChIInChI=1S/C15H28N4/c1-6-7-16-11-14-10-13(2)15(17-12-14)19(5)9-8-18(3)4/h10,12,16H,6-9,11H2,1-5H3
InChIKeyFNSHHXGCKWTIKU-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.89
Rot. Bonds8

About N,N,N'-trimethyl-N'-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]ethane-1,2-diamine

N,N,N'-trimethyl-N'-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]ethane-1,2-diamine (PubChem CID 80635878) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]ethane-1,2-diamine
PubChem CID80635878
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN,N,N'-trimethyl-N'-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]ethane-1,2-diamine
SMILESCCCNCc1cnc(N(C)CCN(C)C)c(C)c1
InChIInChI=1S/C15H28N4/c1-6-7-16-11-14-10-13(2)15(17-12-14)19(5)9-8-18(3)4/h10,12,16H,6-9,11H2,1-5H3
InChIKeyFNSHHXGCKWTIKU-UHFFFAOYSA-N
XLogP1.89
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N,N'-trimethyl-N'-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]ethane-1,2-diamine with MolForge

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Related Compounds

2-methyl-1-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]propan-2-ol
CID 80635329
N-ethyl-3-methyl-N-propyl-5-(propylaminomethyl)pyridin-2-amine
CID 80629655
N-ethyl-2-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]acetamide
CID 80629706
2-[[3-methyl-5-(propylaminomethyl)-2-pyridinyl]-propylamino]ethanol
CID 80629864
N,3-dimethyl-N-(4-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine
CID 80636506
N,2-dimethyl-3-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]propanamide
CID 106916830
N-butan-2-yl-N-butyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine
CID 80636831
N-butyl-N-cyclopropyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine
CID 80629872
N'-[5-(2-aminoethyl)-3-methyl-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
CID 80634571
N,3-dimethyl-N-(oxan-2-ylmethyl)-5-(propylaminomethyl)pyridin-2-amine
CID 80631876
N'-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 80637710
N'-ethyl-N'-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpropane-1,3-diamine
CID 102995270

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]ethane-1,2-diamine (CID 80635878) is N,N,N'-trimethyl-N'-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]ethane-1,2-diamine is CCCNCc1cnc(N(C)CCN(C)C)c(C)c1.
What is the InChIKey of N,N,N'-trimethyl-N'-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]ethane-1,2-diamine?
The InChIKey is FNSHHXGCKWTIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-6-7-16-11-14-10-13(2)15(17-12-14)19(5)9-8-18(3)4/h10,12,16H,6-9,11H2,1-5H3.
What are the key properties of N,N,N'-trimethyl-N'-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]ethane-1,2-diamine?
N,N,N'-trimethyl-N'-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]ethane-1,2-diamine has a molecular weight of 264.42 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]ethane-1,2-diamine is sourced from PubChem (CID 80635878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).