3-propan-2-yloxy-N-(pyridin-4-ylmethyl)propan-1-amine;hydrochloride

C12H21ClN2O — CID 17206477

IUPAC3-propan-2-yloxy-N-(pyridin-4-ylmethyl)propan-1-amine;hydrochloride
SMILESCC(C)OCCCNCc1ccncc1.Cl
InChIInChI=1S/C12H20N2O.ClH/c1-11(2)15-9-3-6-14-10-12-4-7-13-8-5-12;/h4-5,7-8,11,14H,3,6,9-10H2,1-2H3;1H
InChIKeyWDJHQAYCTRMKKK-UHFFFAOYSA-N
MW244.77 g/mol
LogP2.41
Rot. Bonds7

About 3-propan-2-yloxy-N-(pyridin-4-ylmethyl)propan-1-amine;hydrochloride

3-propan-2-yloxy-N-(pyridin-4-ylmethyl)propan-1-amine;hydrochloride (PubChem CID 17206477) has the molecular formula C12H21ClN2O and a molecular weight of 244.77 g/mol. Its IUPAC name is 3-propan-2-yloxy-N-(pyridin-4-ylmethyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-propan-2-yloxy-N-(pyridin-4-ylmethyl)propan-1-amine;hydrochloride
PubChem CID17206477
Molecular FormulaC12H21ClN2O
Molecular Weight244.77 g/mol
Exact Mass244.13
IUPAC Name3-propan-2-yloxy-N-(pyridin-4-ylmethyl)propan-1-amine;hydrochloride
SMILESCC(C)OCCCNCc1ccncc1.Cl
InChIInChI=1S/C12H20N2O.ClH/c1-11(2)15-9-3-6-14-10-12-4-7-13-8-5-12;/h4-5,7-8,11,14H,3,6,9-10H2,1-2H3;1H
InChIKeyWDJHQAYCTRMKKK-UHFFFAOYSA-N
XLogP2.41
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.77
LogP ≤ 52.41
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-[(4-chlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17206435
4-[(3-propan-2-yloxypropylamino)methyl]benzoic acid
CID 17207100
4-propan-2-yloxy-N-[(4-trimethylsilylphenyl)methyl]butan-1-amine
CID 106009810
N-(2-propan-2-yloxyethyl)-2-pyridin-4-ylethanamine
CID 61485275
N,N'-bis(pyridin-4-ylmethyl)pentane-1,5-diamine
CID 101163000
3-(2-methoxyethoxy)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 28720665
3-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 82097706
azane;N-benzyl-2-propan-2-yloxyethanamine
CID 68981527
3-propan-2-yloxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
CID 43662494
2-propan-2-yloxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60702149
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17207031
ethane;3-methyl-N-(pyridin-4-ylmethyl)butan-1-amine
CID 156850242

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-N-(pyridin-4-ylmethyl)propan-1-amine;hydrochloride?
The IUPAC name of 3-propan-2-yloxy-N-(pyridin-4-ylmethyl)propan-1-amine;hydrochloride (CID 17206477) is 3-propan-2-yloxy-N-(pyridin-4-ylmethyl)propan-1-amine;hydrochloride.
What is the SMILES notation for 3-propan-2-yloxy-N-(pyridin-4-ylmethyl)propan-1-amine;hydrochloride?
The canonical SMILES for 3-propan-2-yloxy-N-(pyridin-4-ylmethyl)propan-1-amine;hydrochloride is CC(C)OCCCNCc1ccncc1.Cl.
What is the InChIKey of 3-propan-2-yloxy-N-(pyridin-4-ylmethyl)propan-1-amine;hydrochloride?
The InChIKey is WDJHQAYCTRMKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O.ClH/c1-11(2)15-9-3-6-14-10-12-4-7-13-8-5-12;/h4-5,7-8,11,14H,3,6,9-10H2,1-2H3;1H.
What are the key properties of 3-propan-2-yloxy-N-(pyridin-4-ylmethyl)propan-1-amine;hydrochloride?
3-propan-2-yloxy-N-(pyridin-4-ylmethyl)propan-1-amine;hydrochloride has a molecular weight of 244.77 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-N-(pyridin-4-ylmethyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 17206477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).