N',2,2-trimethyl-N'-(2-pyridin-2-ylethyl)hexane-1,6-diamine

C16H29N3 — CID 106707873

IUPACN',2,2-trimethyl-N'-(2-pyridin-2-ylethyl)hexane-1,6-diamine
SMILESCN(CCCCC(C)(C)CN)CCc1ccccn1
InChIInChI=1S/C16H29N3/c1-16(2,14-17)10-5-7-12-19(3)13-9-15-8-4-6-11-18-15/h4,6,8,11H,5,7,9-10,12-14,17H2,1-3H3
InChIKeyLWDJWTOBLBEVFD-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.71
Rot. Bonds9

About N',2,2-trimethyl-N'-(2-pyridin-2-ylethyl)hexane-1,6-diamine

N',2,2-trimethyl-N'-(2-pyridin-2-ylethyl)hexane-1,6-diamine (PubChem CID 106707873) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N',2,2-trimethyl-N'-(2-pyridin-2-ylethyl)hexane-1,6-diamine.

Molecular Properties

Compound NameN',2,2-trimethyl-N'-(2-pyridin-2-ylethyl)hexane-1,6-diamine
PubChem CID106707873
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN',2,2-trimethyl-N'-(2-pyridin-2-ylethyl)hexane-1,6-diamine
SMILESCN(CCCCC(C)(C)CN)CCc1ccccn1
InChIInChI=1S/C16H29N3/c1-16(2,14-17)10-5-7-12-19(3)13-9-15-8-4-6-11-18-15/h4,6,8,11H,5,7,9-10,12-14,17H2,1-3H3
InChIKeyLWDJWTOBLBEVFD-UHFFFAOYSA-N
XLogP2.71
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N',2,2-trimethyl-N'-(pyridin-2-ylmethyl)pentane-1,5-diamine
CID 65254292
1-amino-2-methyl-5-[methyl(2-pyridin-2-ylethyl)amino]pentan-2-ol
CID 64819411
2-methyl-2-(methylamino)-6-[methyl(2-pyridin-2-ylethyl)amino]hexan-1-ol
CID 64796903
5-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pentan-1-amine
CID 61289139
6-chloro-N-methyl-N-(2-pyridin-2-ylethyl)hexan-1-amine
CID 62229678
N-tert-butyl-N'-methyl-N'-(2-pyridin-2-ylethyl)pentane-1,5-diamine
CID 62419001
3-[methyl(2-pyridin-2-ylethyl)amino]propan-1-ol
CID 43393524
N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
2-(4,4-dimethylhexyl)pyridine
CID 57111041
N',2,2-trimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 62256476
4-[methyl(2-pyridin-2-ylethyl)amino]butanehydrazide
CID 63572869
[1-hydroxy-3-[methyl(4-pyridin-2-ylbutyl)amino]-1-phosphonopropyl]phosphonic acid
CID 19776440

Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N'-(2-pyridin-2-ylethyl)hexane-1,6-diamine?
The IUPAC name of N',2,2-trimethyl-N'-(2-pyridin-2-ylethyl)hexane-1,6-diamine (CID 106707873) is N',2,2-trimethyl-N'-(2-pyridin-2-ylethyl)hexane-1,6-diamine.
What is the SMILES notation for N',2,2-trimethyl-N'-(2-pyridin-2-ylethyl)hexane-1,6-diamine?
The canonical SMILES for N',2,2-trimethyl-N'-(2-pyridin-2-ylethyl)hexane-1,6-diamine is CN(CCCCC(C)(C)CN)CCc1ccccn1.
What is the InChIKey of N',2,2-trimethyl-N'-(2-pyridin-2-ylethyl)hexane-1,6-diamine?
The InChIKey is LWDJWTOBLBEVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-16(2,14-17)10-5-7-12-19(3)13-9-15-8-4-6-11-18-15/h4,6,8,11H,5,7,9-10,12-14,17H2,1-3H3.
What are the key properties of N',2,2-trimethyl-N'-(2-pyridin-2-ylethyl)hexane-1,6-diamine?
N',2,2-trimethyl-N'-(2-pyridin-2-ylethyl)hexane-1,6-diamine has a molecular weight of 263.43 g/mol, XLogP of 2.71, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N'-(2-pyridin-2-ylethyl)hexane-1,6-diamine is sourced from PubChem (CID 106707873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).