(1R)-4-methyl-1-pyren-1-ylpentan-1-amine;hydrochloride

C22H24ClN — CID 171216860

IUPAC(1R)-4-methyl-1-pyren-1-ylpentan-1-amine;hydrochloride
SMILESCC(C)CC[C@@H](N)c1ccc2ccc3cccc4ccc1c2c34.Cl
InChIInChI=1S/C22H23N.ClH/c1-14(2)6-13-20(23)18-11-9-17-8-7-15-4-3-5-16-10-12-19(18)22(17)21(15)16;/h3-5,7-12,14,20H,6,13,23H2,1-2H3;1H/t20-;/m1./s1
InChIKeyFRYSHRIZSLXXQI-VEIFNGETSA-N
MW337.89 g/mol
LogP6.44
Rot. Bonds4

About (1R)-4-methyl-1-pyren-1-ylpentan-1-amine;hydrochloride

(1R)-4-methyl-1-pyren-1-ylpentan-1-amine;hydrochloride (PubChem CID 171216860) has the molecular formula C22H24ClN and a molecular weight of 337.89 g/mol. Its IUPAC name is (1R)-4-methyl-1-pyren-1-ylpentan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-4-methyl-1-pyren-1-ylpentan-1-amine;hydrochloride
PubChem CID171216860
Molecular FormulaC22H24ClN
Molecular Weight337.89 g/mol
Exact Mass337.16
IUPAC Name(1R)-4-methyl-1-pyren-1-ylpentan-1-amine;hydrochloride
SMILESCC(C)CC[C@@H](N)c1ccc2ccc3cccc4ccc1c2c34.Cl
InChIInChI=1S/C22H23N.ClH/c1-14(2)6-13-20(23)18-11-9-17-8-7-15-4-3-5-16-10-12-19(18)22(17)21(15)16;/h3-5,7-12,14,20H,6,13,23H2,1-2H3;1H/t20-;/m1./s1
InChIKeyFRYSHRIZSLXXQI-VEIFNGETSA-N
XLogP6.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.89
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-pyren-1-ylbutan-1-amine;hydrochloride
CID 171216824
1-pyren-1-ylpropan-1-amine;hydrochloride
CID 57432893
(1S,2R)-1-amino-5-methyl-1-pyren-1-ylhexan-2-ol
CID 171272008
1-pyren-1-ylpropan-1-amine
CID 57432894
(1R)-1-pyren-1-ylpentane-1,5-diamine
CID 171216817
(1S,2R)-1-amino-1-pyren-1-ylbutan-2-ol;hydrochloride
CID 171271987
(1R,2S)-1-amino-1-pyren-1-ylhexan-2-ol;hydrochloride
CID 171266345
methyl(1-pyren-1-ylethyl)phosphane
CID 144875386
1-[2,6-dimethyl-3,5-di(propan-2-yl)heptan-4-yl]pyrene
CID 102523746
(1S)-2,2,3,3,3-pentafluoro-1-pyren-1-ylpropan-1-amine;hydrochloride
CID 171312055
(1S)-4-methyl-1-(2-methylphenyl)pentan-1-amine;hydrochloride
CID 171229467
2-[(1R)-1-amino-4-methylpentyl]phenol;hydrochloride
CID 171200975

Frequently Asked Questions

What is the IUPAC name of (1R)-4-methyl-1-pyren-1-ylpentan-1-amine;hydrochloride?
The IUPAC name of (1R)-4-methyl-1-pyren-1-ylpentan-1-amine;hydrochloride (CID 171216860) is (1R)-4-methyl-1-pyren-1-ylpentan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-4-methyl-1-pyren-1-ylpentan-1-amine;hydrochloride?
The canonical SMILES for (1R)-4-methyl-1-pyren-1-ylpentan-1-amine;hydrochloride is CC(C)CC[C@@H](N)c1ccc2ccc3cccc4ccc1c2c34.Cl.
What is the InChIKey of (1R)-4-methyl-1-pyren-1-ylpentan-1-amine;hydrochloride?
The InChIKey is FRYSHRIZSLXXQI-VEIFNGETSA-N. The full InChI is InChI=1S/C22H23N.ClH/c1-14(2)6-13-20(23)18-11-9-17-8-7-15-4-3-5-16-10-12-19(18)22(17)21(15)16;/h3-5,7-12,14,20H,6,13,23H2,1-2H3;1H/t20-;/m1./s1.
What are the key properties of (1R)-4-methyl-1-pyren-1-ylpentan-1-amine;hydrochloride?
(1R)-4-methyl-1-pyren-1-ylpentan-1-amine;hydrochloride has a molecular weight of 337.89 g/mol, XLogP of 6.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-methyl-1-pyren-1-ylpentan-1-amine;hydrochloride is sourced from PubChem (CID 171216860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).