1-pyridin-4-ylcyclobutan-1-amine;dihydrochloride

C9H14Cl2N2 — CID 131870742

IUPAC1-pyridin-4-ylcyclobutan-1-amine;dihydrochloride
SMILESCl.Cl.NC1(c2ccncc2)CCC1
InChIInChI=1S/C9H12N2.2ClH/c10-9(4-1-5-9)8-2-6-11-7-3-8;;/h2-3,6-7H,1,4-5,10H2;2*1H
InChIKeyPCAZLXWBVSSZFU-UHFFFAOYSA-N
MW221.13 g/mol
LogP2.26
Rot. Bonds1

About 1-pyridin-4-ylcyclobutan-1-amine;dihydrochloride

1-pyridin-4-ylcyclobutan-1-amine;dihydrochloride (PubChem CID 131870742) has the molecular formula C9H14Cl2N2 and a molecular weight of 221.13 g/mol. Its IUPAC name is 1-pyridin-4-ylcyclobutan-1-amine;dihydrochloride.

Molecular Properties

Compound Name1-pyridin-4-ylcyclobutan-1-amine;dihydrochloride
PubChem CID131870742
Molecular FormulaC9H14Cl2N2
Molecular Weight221.13 g/mol
Exact Mass220.05
IUPAC Name1-pyridin-4-ylcyclobutan-1-amine;dihydrochloride
SMILESCl.Cl.NC1(c2ccncc2)CCC1
InChIInChI=1S/C9H12N2.2ClH/c10-9(4-1-5-9)8-2-6-11-7-3-8;;/h2-3,6-7H,1,4-5,10H2;2*1H
InChIKeyPCAZLXWBVSSZFU-UHFFFAOYSA-N
XLogP2.26
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.13
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-pyridin-4-ylcyclobutan-1-amine;hydrochloride
CID 146013729
3,3-dimethyl-1-pyridin-4-ylcyclobutan-1-amine
CID 80524018
4-pyridin-4-ylbicyclo[2.2.2]octan-1-amine;hydrochloride
CID 161319445
1-(2-methyl-4-pyridinyl)cyclobutan-1-amine
CID 82596357
4-(1-aminocyclobutyl)benzonitrile;hydrochloride
CID 71742690
1-(4-chlorophenyl)cyclopentan-1-amine;hydrochloride
CID 47002947
ethane;1-(4-methylphenyl)cyclobutan-1-amine
CID 169135941
1-(4-methylphenyl)cyclopentan-1-amine;hydrochloride
CID 45380293
1-[4-(1-aminocyclobutyl)phenyl]cyclopropan-1-ol
CID 117112880
3,3-dipropyl-1-pyridin-4-ylcyclobutan-1-amine
CID 80524474
1-(4-propan-2-ylphenyl)cyclobutan-1-amine
CID 43146614
1-pyridin-4-ylcyclobutane-1-carboxylic acid
CID 55265399

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-ylcyclobutan-1-amine;dihydrochloride?
The IUPAC name of 1-pyridin-4-ylcyclobutan-1-amine;dihydrochloride (CID 131870742) is 1-pyridin-4-ylcyclobutan-1-amine;dihydrochloride.
What is the SMILES notation for 1-pyridin-4-ylcyclobutan-1-amine;dihydrochloride?
The canonical SMILES for 1-pyridin-4-ylcyclobutan-1-amine;dihydrochloride is Cl.Cl.NC1(c2ccncc2)CCC1.
What is the InChIKey of 1-pyridin-4-ylcyclobutan-1-amine;dihydrochloride?
The InChIKey is PCAZLXWBVSSZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2.2ClH/c10-9(4-1-5-9)8-2-6-11-7-3-8;;/h2-3,6-7H,1,4-5,10H2;2*1H.
What are the key properties of 1-pyridin-4-ylcyclobutan-1-amine;dihydrochloride?
1-pyridin-4-ylcyclobutan-1-amine;dihydrochloride has a molecular weight of 221.13 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-ylcyclobutan-1-amine;dihydrochloride is sourced from PubChem (CID 131870742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).