1-N,4-N-diethyl-1-N-(pyridin-4-ylmethyl)hexane-1,4-diamine

C16H29N3 — CID 106799552

IUPAC1-N,4-N-diethyl-1-N-(pyridin-4-ylmethyl)hexane-1,4-diamine
SMILESCCNC(CC)CCCN(CC)Cc1ccncc1
InChIInChI=1S/C16H29N3/c1-4-16(18-5-2)8-7-13-19(6-3)14-15-9-11-17-12-10-15/h9-12,16,18H,4-8,13-14H2,1-3H3
InChIKeyZXMOMCZDTVJKTP-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.07
Rot. Bonds10

About 1-N,4-N-diethyl-1-N-(pyridin-4-ylmethyl)hexane-1,4-diamine

1-N,4-N-diethyl-1-N-(pyridin-4-ylmethyl)hexane-1,4-diamine (PubChem CID 106799552) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-N,4-N-diethyl-1-N-(pyridin-4-ylmethyl)hexane-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-diethyl-1-N-(pyridin-4-ylmethyl)hexane-1,4-diamine
PubChem CID106799552
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1-N,4-N-diethyl-1-N-(pyridin-4-ylmethyl)hexane-1,4-diamine
SMILESCCNC(CC)CCCN(CC)Cc1ccncc1
InChIInChI=1S/C16H29N3/c1-4-16(18-5-2)8-7-13-19(6-3)14-15-9-11-17-12-10-15/h9-12,16,18H,4-8,13-14H2,1-3H3
InChIKeyZXMOMCZDTVJKTP-UHFFFAOYSA-N
XLogP3.07
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,2-N-diethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 62038864
N-ethyl-1-pyridin-4-ylpentan-3-amine
CID 105078896
N-ethyl-3-iodo-N-(pyridin-4-ylmethyl)propan-1-amine
CID 142257786
1-N-benzyl-4-N-ethyl-1-N-methylhexane-1,4-diamine
CID 106799242
N'-ethyl-N-propyl-N'-(pyridin-4-ylmethyl)pentane-1,5-diamine
CID 62430423
N'-ethyl-N-(3-methylbutyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62554222
N'-ethyl-N-methyl-1-phenyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 62612946
N-(pyridin-4-ylmethyl)heptan-3-amine
CID 63947303
N-butyl-N'-ethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62553729
N-tert-butyl-N'-ethyl-N'-(pyridin-4-ylmethyl)pentane-1,5-diamine
CID 62430607
1-N-ethyl-4,4-dimethyl-3-N-propyl-1-N-(pyridin-4-ylmethyl)pentane-1,3-diamine
CID 62623357
N,5-diethyl-1-pyridin-4-ylheptan-3-amine
CID 105176845

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-diethyl-1-N-(pyridin-4-ylmethyl)hexane-1,4-diamine?
The IUPAC name of 1-N,4-N-diethyl-1-N-(pyridin-4-ylmethyl)hexane-1,4-diamine (CID 106799552) is 1-N,4-N-diethyl-1-N-(pyridin-4-ylmethyl)hexane-1,4-diamine.
What is the SMILES notation for 1-N,4-N-diethyl-1-N-(pyridin-4-ylmethyl)hexane-1,4-diamine?
The canonical SMILES for 1-N,4-N-diethyl-1-N-(pyridin-4-ylmethyl)hexane-1,4-diamine is CCNC(CC)CCCN(CC)Cc1ccncc1.
What is the InChIKey of 1-N,4-N-diethyl-1-N-(pyridin-4-ylmethyl)hexane-1,4-diamine?
The InChIKey is ZXMOMCZDTVJKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-4-16(18-5-2)8-7-13-19(6-3)14-15-9-11-17-12-10-15/h9-12,16,18H,4-8,13-14H2,1-3H3.
What are the key properties of 1-N,4-N-diethyl-1-N-(pyridin-4-ylmethyl)hexane-1,4-diamine?
1-N,4-N-diethyl-1-N-(pyridin-4-ylmethyl)hexane-1,4-diamine has a molecular weight of 263.43 g/mol, XLogP of 3.07, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-diethyl-1-N-(pyridin-4-ylmethyl)hexane-1,4-diamine is sourced from PubChem (CID 106799552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).