N-(2-pyridin-4-ylethyl)propan-2-amine;dihydrochloride

C10H18Cl2N2 — CID 91928341

IUPACN-(2-pyridin-4-ylethyl)propan-2-amine;dihydrochloride
SMILESCC(C)NCCc1ccncc1.Cl.Cl
InChIInChI=1S/C10H16N2.2ClH/c1-9(2)12-8-5-10-3-6-11-7-4-10;;/h3-4,6-7,9,12H,5,8H2,1-2H3;2*1H
InChIKeyDKVDUBAVWGJEBB-UHFFFAOYSA-N
MW237.17 g/mol
LogP2.47
Rot. Bonds4

About N-(2-pyridin-4-ylethyl)propan-2-amine;dihydrochloride

N-(2-pyridin-4-ylethyl)propan-2-amine;dihydrochloride (PubChem CID 91928341) has the molecular formula C10H18Cl2N2 and a molecular weight of 237.17 g/mol. Its IUPAC name is N-(2-pyridin-4-ylethyl)propan-2-amine;dihydrochloride.

Molecular Properties

Compound NameN-(2-pyridin-4-ylethyl)propan-2-amine;dihydrochloride
PubChem CID91928341
Molecular FormulaC10H18Cl2N2
Molecular Weight237.17 g/mol
Exact Mass236.08
IUPAC NameN-(2-pyridin-4-ylethyl)propan-2-amine;dihydrochloride
SMILESCC(C)NCCc1ccncc1.Cl.Cl
InChIInChI=1S/C10H16N2.2ClH/c1-9(2)12-8-5-10-3-6-11-7-4-10;;/h3-4,6-7,9,12H,5,8H2,1-2H3;2*1H
InChIKeyDKVDUBAVWGJEBB-UHFFFAOYSA-N
XLogP2.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.17
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine
CID 60647906
1,1-difluoro-N-(2-pyridin-4-ylethyl)propan-2-amine
CID 102869089
1-(furan-2-yl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 60721044
N'-propan-2-yl-N-pyridin-4-ylethane-1,2-diamine
CID 62662678
3-methyl-2-(2-pyridin-4-ylethylamino)butanoic acid
CID 60890928
methyl 2-(2-pyridin-4-ylethylamino)propanoate
CID 61499767
1-methoxy-3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine
CID 65049563
(1S)-1-pyridin-2-yl-N-(2-pyridin-4-ylethyl)ethanamine
CID 81402151
1-(2-methylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 54941173
1-methylsulfonyl-N-(2-pyridin-4-ylethyl)propan-2-amine
CID 64630354
1-(4-methylsulfanylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 54943643
1-(4-bromophenyl)-N-(2-pyridin-4-ylethyl)propan-2-amine
CID 103522285

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-4-ylethyl)propan-2-amine;dihydrochloride?
The IUPAC name of N-(2-pyridin-4-ylethyl)propan-2-amine;dihydrochloride (CID 91928341) is N-(2-pyridin-4-ylethyl)propan-2-amine;dihydrochloride.
What is the SMILES notation for N-(2-pyridin-4-ylethyl)propan-2-amine;dihydrochloride?
The canonical SMILES for N-(2-pyridin-4-ylethyl)propan-2-amine;dihydrochloride is CC(C)NCCc1ccncc1.Cl.Cl.
What is the InChIKey of N-(2-pyridin-4-ylethyl)propan-2-amine;dihydrochloride?
The InChIKey is DKVDUBAVWGJEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2.2ClH/c1-9(2)12-8-5-10-3-6-11-7-4-10;;/h3-4,6-7,9,12H,5,8H2,1-2H3;2*1H.
What are the key properties of N-(2-pyridin-4-ylethyl)propan-2-amine;dihydrochloride?
N-(2-pyridin-4-ylethyl)propan-2-amine;dihydrochloride has a molecular weight of 237.17 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-4-ylethyl)propan-2-amine;dihydrochloride is sourced from PubChem (CID 91928341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).