3-(3-amino-4-pyridinyl)pentane-1,4-diamine

C10H18N4 — CID 90212207

IUPAC3-(3-amino-4-pyridinyl)pentane-1,4-diamine
SMILESCC(N)C(CCN)c1ccncc1N
InChIInChI=1S/C10H18N4/c1-7(12)8(2-4-11)9-3-5-14-6-10(9)13/h3,5-8H,2,4,11-13H2,1H3
InChIKeyIQTALEGOASODMD-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.44
Rot. Bonds4

About 3-(3-amino-4-pyridinyl)pentane-1,4-diamine

3-(3-amino-4-pyridinyl)pentane-1,4-diamine (PubChem CID 90212207) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-(3-amino-4-pyridinyl)pentane-1,4-diamine.

Molecular Properties

Compound Name3-(3-amino-4-pyridinyl)pentane-1,4-diamine
PubChem CID90212207
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name3-(3-amino-4-pyridinyl)pentane-1,4-diamine
SMILESCC(N)C(CCN)c1ccncc1N
InChIInChI=1S/C10H18N4/c1-7(12)8(2-4-11)9-3-5-14-6-10(9)13/h3,5-8H,2,4,11-13H2,1H3
InChIKeyIQTALEGOASODMD-UHFFFAOYSA-N
XLogP0.44
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-(3-amino-4-pyridinyl)propan-1-ol
CID 55292643
(1S,2S)-1-amino-1-(3-amino-4-pyridinyl)propan-2-ol
CID 55293070
3-(4-bromo-3-pyridinyl)-4-methylpentan-1-amine
CID 84805510
4-[(1S)-1-(methylamino)ethyl]pyridin-3-amine
CID 130680311
1-(3-amino-4-pyridinyl)-N-methylethane-1,2-diamine
CID 130280061
3-amino-1-(3-amino-4-pyridinyl)propane-1,2-diol
CID 170827517
4-(1-amino-2-cyclopropylethyl)pyridin-3-amine
CID 55292075
2-amino-2-(3-amino-4-pyridinyl)acetic acid
CID 55292640
2-(3-fluoro-4-pyridinyl)propan-1-amine
CID 84649949
4-amino-1-(3-methyl-4-pyridinyl)butane-1,2-diol
CID 171880754
1-(3-amino-4-pyridinyl)-4-sulfanylbutane-1,2-diol
CID 171873543
1-(4-methyl-3-pyridinyl)ethanamine
CID 64988869

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-pyridinyl)pentane-1,4-diamine?
The IUPAC name of 3-(3-amino-4-pyridinyl)pentane-1,4-diamine (CID 90212207) is 3-(3-amino-4-pyridinyl)pentane-1,4-diamine.
What is the SMILES notation for 3-(3-amino-4-pyridinyl)pentane-1,4-diamine?
The canonical SMILES for 3-(3-amino-4-pyridinyl)pentane-1,4-diamine is CC(N)C(CCN)c1ccncc1N.
What is the InChIKey of 3-(3-amino-4-pyridinyl)pentane-1,4-diamine?
The InChIKey is IQTALEGOASODMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-7(12)8(2-4-11)9-3-5-14-6-10(9)13/h3,5-8H,2,4,11-13H2,1H3.
What are the key properties of 3-(3-amino-4-pyridinyl)pentane-1,4-diamine?
3-(3-amino-4-pyridinyl)pentane-1,4-diamine has a molecular weight of 194.28 g/mol, XLogP of 0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-pyridinyl)pentane-1,4-diamine is sourced from PubChem (CID 90212207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).