1-cyclopropyl-N-(pyridin-4-ylmethyl)methanamine;hydrochloride

C10H15ClN2 — CID 167733766

IUPAC1-cyclopropyl-N-(pyridin-4-ylmethyl)methanamine;hydrochloride
SMILESCl.c1cc(CNCC2CC2)ccn1
InChIInChI=1S/C10H14N2.ClH/c1-2-9(1)7-12-8-10-3-5-11-6-4-10;/h3-6,9,12H,1-2,7-8H2;1H
InChIKeyJOKGRLFRMMRKNR-UHFFFAOYSA-N
MW198.70 g/mol
LogP2.00
Rot. Bonds4

About 1-cyclopropyl-N-(pyridin-4-ylmethyl)methanamine;hydrochloride

1-cyclopropyl-N-(pyridin-4-ylmethyl)methanamine;hydrochloride (PubChem CID 167733766) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 1-cyclopropyl-N-(pyridin-4-ylmethyl)methanamine;hydrochloride.

Molecular Properties

Compound Name1-cyclopropyl-N-(pyridin-4-ylmethyl)methanamine;hydrochloride
PubChem CID167733766
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name1-cyclopropyl-N-(pyridin-4-ylmethyl)methanamine;hydrochloride
SMILESCl.c1cc(CNCC2CC2)ccn1
InChIInChI=1S/C10H14N2.ClH/c1-2-9(1)7-12-8-10-3-5-11-6-4-10;/h3-6,9,12H,1-2,7-8H2;1H
InChIKeyJOKGRLFRMMRKNR-UHFFFAOYSA-N
XLogP2.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorocyclobutyl)-N-(pyridin-4-ylmethyl)methanamine
CID 66006072
[4-[(cyclopropylmethylamino)methyl]phenyl]methanol
CID 83962663
N-[[5-[(pyridin-4-ylmethylamino)methyl]oxan-3-yl]methyl]ethanamine
CID 121358962
1-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]methanamine
CID 61241563
cycloheptanamine;cyclopentanamine;N-(pyridin-4-ylmethyl)ethanamine
CID 70106759
N-[(4-ethylcyclohexyl)methyl]-2-pyridin-4-ylethanamine
CID 54880947
[4-(pyridin-4-ylmethylamino)cyclohexyl]methanol
CID 103753143
tert-butyl (3S)-3-[(pyridin-4-ylmethylamino)methyl]pyrrolidine-1-carboxylate
CID 10493804
1-(4-ethylcyclohexyl)-N-[(4-ethylphenyl)methyl]methanamine
CID 63451562
1-[(3R)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-4-ylmethyl)methanamine
CID 124890461
molecular hydrogen;N-(pyridin-4-ylmethyl)ethanamine
CID 145190725
N-benzyl-1-(4-phenylmethoxycyclohexyl)methanamine;hydrochloride
CID 171784857

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(pyridin-4-ylmethyl)methanamine;hydrochloride?
The IUPAC name of 1-cyclopropyl-N-(pyridin-4-ylmethyl)methanamine;hydrochloride (CID 167733766) is 1-cyclopropyl-N-(pyridin-4-ylmethyl)methanamine;hydrochloride.
What is the SMILES notation for 1-cyclopropyl-N-(pyridin-4-ylmethyl)methanamine;hydrochloride?
The canonical SMILES for 1-cyclopropyl-N-(pyridin-4-ylmethyl)methanamine;hydrochloride is Cl.c1cc(CNCC2CC2)ccn1.
What is the InChIKey of 1-cyclopropyl-N-(pyridin-4-ylmethyl)methanamine;hydrochloride?
The InChIKey is JOKGRLFRMMRKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.ClH/c1-2-9(1)7-12-8-10-3-5-11-6-4-10;/h3-6,9,12H,1-2,7-8H2;1H.
What are the key properties of 1-cyclopropyl-N-(pyridin-4-ylmethyl)methanamine;hydrochloride?
1-cyclopropyl-N-(pyridin-4-ylmethyl)methanamine;hydrochloride has a molecular weight of 198.70 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(pyridin-4-ylmethyl)methanamine;hydrochloride is sourced from PubChem (CID 167733766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).