5-[(4S)-4-aminopentyl]pyridin-2-amine;dihydrochloride

C10H19Cl2N3 — CID 178024498

IUPAC5-[(4S)-4-aminopentyl]pyridin-2-amine;dihydrochloride
SMILESC[C@H](N)CCCc1ccc(N)nc1.Cl.Cl
InChIInChI=1S/C10H17N3.2ClH/c1-8(11)3-2-4-9-5-6-10(12)13-7-9;;/h5-8H,2-4,11H2,1H3,(H2,12,13);2*1H/t8-;;/m0../s1
InChIKeyDQWAHAYWPJYBOK-JZGIKJSDSA-N
MW252.19 g/mol
LogP2.18
Rot. Bonds4

About 5-[(4S)-4-aminopentyl]pyridin-2-amine;dihydrochloride

5-[(4S)-4-aminopentyl]pyridin-2-amine;dihydrochloride (PubChem CID 178024498) has the molecular formula C10H19Cl2N3 and a molecular weight of 252.19 g/mol. Its IUPAC name is 5-[(4S)-4-aminopentyl]pyridin-2-amine;dihydrochloride.

Molecular Properties

Compound Name5-[(4S)-4-aminopentyl]pyridin-2-amine;dihydrochloride
PubChem CID178024498
Molecular FormulaC10H19Cl2N3
Molecular Weight252.19 g/mol
Exact Mass251.10
IUPAC Name5-[(4S)-4-aminopentyl]pyridin-2-amine;dihydrochloride
SMILESC[C@H](N)CCCc1ccc(N)nc1.Cl.Cl
InChIInChI=1S/C10H17N3.2ClH/c1-8(11)3-2-4-9-5-6-10(12)13-7-9;;/h5-8H,2-4,11H2,1H3,(H2,12,13);2*1H/t8-;;/m0../s1
InChIKeyDQWAHAYWPJYBOK-JZGIKJSDSA-N
XLogP2.18
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.19
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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5-[3-(cyclobutylamino)butyl]pyridin-2-amine
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4-(4-aminopentyl)benzonitrile
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(2S)-2-[2-(6-amino-3-pyridinyl)ethyl-ethylamino]propan-1-ol
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5-(3H-benzimidazol-5-yl)pentan-2-amine
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5-(octan-2-yloxymethyl)pyridin-2-amine
CID 55044841
6-(5-ethyl-2-pyridinyl)-2-methylhexan-3-amine
CID 79737589
5-(butan-2-ylsulfanylmethyl)pyridin-2-amine
CID 62187525
5-(4-chloro-3-methylphenyl)pentan-2-amine
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CID 104811907

Frequently Asked Questions

What is the IUPAC name of 5-[(4S)-4-aminopentyl]pyridin-2-amine;dihydrochloride?
The IUPAC name of 5-[(4S)-4-aminopentyl]pyridin-2-amine;dihydrochloride (CID 178024498) is 5-[(4S)-4-aminopentyl]pyridin-2-amine;dihydrochloride.
What is the SMILES notation for 5-[(4S)-4-aminopentyl]pyridin-2-amine;dihydrochloride?
The canonical SMILES for 5-[(4S)-4-aminopentyl]pyridin-2-amine;dihydrochloride is C[C@H](N)CCCc1ccc(N)nc1.Cl.Cl.
What is the InChIKey of 5-[(4S)-4-aminopentyl]pyridin-2-amine;dihydrochloride?
The InChIKey is DQWAHAYWPJYBOK-JZGIKJSDSA-N. The full InChI is InChI=1S/C10H17N3.2ClH/c1-8(11)3-2-4-9-5-6-10(12)13-7-9;;/h5-8H,2-4,11H2,1H3,(H2,12,13);2*1H/t8-;;/m0../s1.
What are the key properties of 5-[(4S)-4-aminopentyl]pyridin-2-amine;dihydrochloride?
5-[(4S)-4-aminopentyl]pyridin-2-amine;dihydrochloride has a molecular weight of 252.19 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4S)-4-aminopentyl]pyridin-2-amine;dihydrochloride is sourced from PubChem (CID 178024498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).