N'-ethyl-N-propyl-N'-(pyridin-4-ylmethyl)pentane-1,5-diamine

C16H29N3 — CID 62430423

IUPACN'-ethyl-N-propyl-N'-(pyridin-4-ylmethyl)pentane-1,5-diamine
SMILESCCCNCCCCCN(CC)Cc1ccncc1
InChIInChI=1S/C16H29N3/c1-3-10-17-11-6-5-7-14-19(4-2)15-16-8-12-18-13-9-16/h8-9,12-13,17H,3-7,10-11,14-15H2,1-2H3
InChIKeyNZSULJAVJCIBMB-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.07
Rot. Bonds11

About N'-ethyl-N-propyl-N'-(pyridin-4-ylmethyl)pentane-1,5-diamine

N'-ethyl-N-propyl-N'-(pyridin-4-ylmethyl)pentane-1,5-diamine (PubChem CID 62430423) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N'-ethyl-N-propyl-N'-(pyridin-4-ylmethyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-ethyl-N-propyl-N'-(pyridin-4-ylmethyl)pentane-1,5-diamine
PubChem CID62430423
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN'-ethyl-N-propyl-N'-(pyridin-4-ylmethyl)pentane-1,5-diamine
SMILESCCCNCCCCCN(CC)Cc1ccncc1
InChIInChI=1S/C16H29N3/c1-3-10-17-11-6-5-7-14-19(4-2)15-16-8-12-18-13-9-16/h8-9,12-13,17H,3-7,10-11,14-15H2,1-2H3
InChIKeyNZSULJAVJCIBMB-UHFFFAOYSA-N
XLogP3.07
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
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

Computed Properties (RDKit)

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

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Related Compounds

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
N-ethyl-3-iodo-N-(pyridin-4-ylmethyl)propan-1-amine
CID 142257786
N'-ethyl-N-(3-methylbutyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62554222
N-ethyl-2-methyl-N'-propyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 62429709
N'-benzyl-N'-ethyl-N-pentylethane-1,2-diamine
CID 62574894
benzyl N-[6-[ethyl(pyridin-4-ylmethyl)amino]hexyl]carbamate
CID 23625663
3-[heptyl(pyridin-4-ylmethyl)amino]propanoic acid
CID 82328776
1-N-ethyl-4,4-dimethyl-3-N-propyl-1-N-(pyridin-4-ylmethyl)pentane-1,3-diamine
CID 62623357
N-(2-pyridin-4-ylethyl)heptan-1-amine
CID 60904179
N-[5-(diethylamino)pentyl]-N',N'-diethylpentane-1,5-diamine
CID 23131522
6-[ethyl(pyridin-4-ylmethyl)amino]hexan-3-one
CID 106801340

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-propyl-N'-(pyridin-4-ylmethyl)pentane-1,5-diamine?
The IUPAC name of N'-ethyl-N-propyl-N'-(pyridin-4-ylmethyl)pentane-1,5-diamine (CID 62430423) is N'-ethyl-N-propyl-N'-(pyridin-4-ylmethyl)pentane-1,5-diamine.
What is the SMILES notation for N'-ethyl-N-propyl-N'-(pyridin-4-ylmethyl)pentane-1,5-diamine?
The canonical SMILES for N'-ethyl-N-propyl-N'-(pyridin-4-ylmethyl)pentane-1,5-diamine is CCCNCCCCCN(CC)Cc1ccncc1.
What is the InChIKey of N'-ethyl-N-propyl-N'-(pyridin-4-ylmethyl)pentane-1,5-diamine?
The InChIKey is NZSULJAVJCIBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-3-10-17-11-6-5-7-14-19(4-2)15-16-8-12-18-13-9-16/h8-9,12-13,17H,3-7,10-11,14-15H2,1-2H3.
What are the key properties of N'-ethyl-N-propyl-N'-(pyridin-4-ylmethyl)pentane-1,5-diamine?
N'-ethyl-N-propyl-N'-(pyridin-4-ylmethyl)pentane-1,5-diamine has a molecular weight of 263.43 g/mol, XLogP of 3.07, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-propyl-N'-(pyridin-4-ylmethyl)pentane-1,5-diamine is sourced from PubChem (CID 62430423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).