N,2-dimethyl-N',2-dipropyl-N-(2-pyridin-2-ylethyl)propane-1,3-diamine

C18H33N3 — CID 62262340

IUPACN,2-dimethyl-N',2-dipropyl-N-(2-pyridin-2-ylethyl)propane-1,3-diamine
SMILESCCCNCC(C)(CCC)CN(C)CCc1ccccn1
InChIInChI=1S/C18H33N3/c1-5-11-18(3,15-19-12-6-2)16-21(4)14-10-17-9-7-8-13-20-17/h7-9,13,19H,5-6,10-12,14-16H2,1-4H3
InChIKeyRSVBTFSXDFZZRS-UHFFFAOYSA-N
MW291.48 g/mol
LogP3.36
Rot. Bonds11

About N,2-dimethyl-N',2-dipropyl-N-(2-pyridin-2-ylethyl)propane-1,3-diamine

N,2-dimethyl-N',2-dipropyl-N-(2-pyridin-2-ylethyl)propane-1,3-diamine (PubChem CID 62262340) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N,2-dimethyl-N',2-dipropyl-N-(2-pyridin-2-ylethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,2-dimethyl-N',2-dipropyl-N-(2-pyridin-2-ylethyl)propane-1,3-diamine
PubChem CID62262340
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN,2-dimethyl-N',2-dipropyl-N-(2-pyridin-2-ylethyl)propane-1,3-diamine
SMILESCCCNCC(C)(CCC)CN(C)CCc1ccccn1
InChIInChI=1S/C18H33N3/c1-5-11-18(3,15-19-12-6-2)16-21(4)14-10-17-9-7-8-13-20-17/h7-9,13,19H,5-6,10-12,14-16H2,1-4H3
InChIKeyRSVBTFSXDFZZRS-UHFFFAOYSA-N
XLogP3.36
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,2-dimethyl-N',2-dipropyl-N-(2-pyridin-2-ylethyl)propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-N',2-dimethyl-N-(2-methylpropyl)-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 62261959
2-ethyl-N,N',2-trimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 55051379
N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 62261769
N-tert-butyl-N',2-dimethyl-2-propyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 62255946
2-(bromomethyl)-N-methyl-2-propyl-N-(2-pyridin-2-ylethyl)pentan-1-amine
CID 65005071
N,2-dimethyl-N'-propan-2-yl-2-propyl-N-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 62255944
N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
3,3-dimethyl-4-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol
CID 66454768
N,2-dimethyl-N-[(4-methylphenyl)methyl]-N',2-dipropylpropane-1,3-diamine
CID 63482171
N-ethyl-N',2-dimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 62418035
N-tert-butyl-N'-methyl-N'-(2-pyridin-2-ylethyl)pentane-1,5-diamine
CID 62419001
2-methyl-1-(propylamino)-3-(2-pyridin-2-ylethoxy)propan-2-ol
CID 66336556

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N',2-dipropyl-N-(2-pyridin-2-ylethyl)propane-1,3-diamine?
The IUPAC name of N,2-dimethyl-N',2-dipropyl-N-(2-pyridin-2-ylethyl)propane-1,3-diamine (CID 62262340) is N,2-dimethyl-N',2-dipropyl-N-(2-pyridin-2-ylethyl)propane-1,3-diamine.
What is the SMILES notation for N,2-dimethyl-N',2-dipropyl-N-(2-pyridin-2-ylethyl)propane-1,3-diamine?
The canonical SMILES for N,2-dimethyl-N',2-dipropyl-N-(2-pyridin-2-ylethyl)propane-1,3-diamine is CCCNCC(C)(CCC)CN(C)CCc1ccccn1.
What is the InChIKey of N,2-dimethyl-N',2-dipropyl-N-(2-pyridin-2-ylethyl)propane-1,3-diamine?
The InChIKey is RSVBTFSXDFZZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-5-11-18(3,15-19-12-6-2)16-21(4)14-10-17-9-7-8-13-20-17/h7-9,13,19H,5-6,10-12,14-16H2,1-4H3.
What are the key properties of N,2-dimethyl-N',2-dipropyl-N-(2-pyridin-2-ylethyl)propane-1,3-diamine?
N,2-dimethyl-N',2-dipropyl-N-(2-pyridin-2-ylethyl)propane-1,3-diamine has a molecular weight of 291.48 g/mol, XLogP of 3.36, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N',2-dipropyl-N-(2-pyridin-2-ylethyl)propane-1,3-diamine is sourced from PubChem (CID 62262340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).