3-N-ethyl-1-N,4,4-trimethyl-1-N-(pyridin-2-ylmethyl)pentane-1,3-diamine

C16H29N3 — CID 62623524

IUPAC3-N-ethyl-1-N,4,4-trimethyl-1-N-(pyridin-2-ylmethyl)pentane-1,3-diamine
SMILESCCNC(CCN(C)Cc1ccccn1)C(C)(C)C
InChIInChI=1S/C16H29N3/c1-6-17-15(16(2,3)4)10-12-19(5)13-14-9-7-8-11-18-14/h7-9,11,15,17H,6,10,12-13H2,1-5H3
InChIKeyBINSDXQNQGKKIE-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.93
Rot. Bonds7

About 3-N-ethyl-1-N,4,4-trimethyl-1-N-(pyridin-2-ylmethyl)pentane-1,3-diamine

3-N-ethyl-1-N,4,4-trimethyl-1-N-(pyridin-2-ylmethyl)pentane-1,3-diamine (PubChem CID 62623524) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 3-N-ethyl-1-N,4,4-trimethyl-1-N-(pyridin-2-ylmethyl)pentane-1,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-1-N,4,4-trimethyl-1-N-(pyridin-2-ylmethyl)pentane-1,3-diamine
PubChem CID62623524
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name3-N-ethyl-1-N,4,4-trimethyl-1-N-(pyridin-2-ylmethyl)pentane-1,3-diamine
SMILESCCNC(CCN(C)Cc1ccccn1)C(C)(C)C
InChIInChI=1S/C16H29N3/c1-6-17-15(16(2,3)4)10-12-19(5)13-14-9-7-8-11-18-14/h7-9,11,15,17H,6,10,12-13H2,1-5H3
InChIKeyBINSDXQNQGKKIE-UHFFFAOYSA-N
XLogP2.93
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-N-ethyl-1-N,4,4-trimethyl-1-N-(pyridin-2-ylmethyl)pentane-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

3-N-ethyl-1-N,4,4-trimethyl-1-N-(2-pyridin-2-ylethyl)pentane-1,3-diamine
CID 62622811
2-N-ethyl-1-N-methyl-1-N-(pyridin-2-ylmethyl)pentane-1,2-diamine
CID 62044465
N-butan-2-yl-N'-methyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 60853394
2-methyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-ol
CID 79360655
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
2-N,3-N,3-N-triethyl-3-methyl-1-pyridin-2-ylbutane-2,3-diamine
CID 79056915
1-N,2-N,2-trimethyl-1-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 62846215
N-methyl-3-[(2-methylpropan-2-yl)oxy]-N-(pyridin-2-ylmethyl)propan-1-amine
CID 59334325
N-ethyl-6-[[methyl(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine
CID 79243794
3,3-dimethyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-one
CID 66453800
2-N-ethyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-2,4-diamine
CID 64706979

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-1-N,4,4-trimethyl-1-N-(pyridin-2-ylmethyl)pentane-1,3-diamine?
The IUPAC name of 3-N-ethyl-1-N,4,4-trimethyl-1-N-(pyridin-2-ylmethyl)pentane-1,3-diamine (CID 62623524) is 3-N-ethyl-1-N,4,4-trimethyl-1-N-(pyridin-2-ylmethyl)pentane-1,3-diamine.
What is the SMILES notation for 3-N-ethyl-1-N,4,4-trimethyl-1-N-(pyridin-2-ylmethyl)pentane-1,3-diamine?
The canonical SMILES for 3-N-ethyl-1-N,4,4-trimethyl-1-N-(pyridin-2-ylmethyl)pentane-1,3-diamine is CCNC(CCN(C)Cc1ccccn1)C(C)(C)C.
What is the InChIKey of 3-N-ethyl-1-N,4,4-trimethyl-1-N-(pyridin-2-ylmethyl)pentane-1,3-diamine?
The InChIKey is BINSDXQNQGKKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-6-17-15(16(2,3)4)10-12-19(5)13-14-9-7-8-11-18-14/h7-9,11,15,17H,6,10,12-13H2,1-5H3.
What are the key properties of 3-N-ethyl-1-N,4,4-trimethyl-1-N-(pyridin-2-ylmethyl)pentane-1,3-diamine?
3-N-ethyl-1-N,4,4-trimethyl-1-N-(pyridin-2-ylmethyl)pentane-1,3-diamine has a molecular weight of 263.43 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-1-N,4,4-trimethyl-1-N-(pyridin-2-ylmethyl)pentane-1,3-diamine is sourced from PubChem (CID 62623524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).