(1R)-1-anthracen-9-ylpentane-1,5-diamine;hydrochloride

C19H23ClN2 — CID 171197562

IUPAC(1R)-1-anthracen-9-ylpentane-1,5-diamine;hydrochloride
SMILESCl.NCCCC[C@@H](N)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C19H22N2.ClH/c20-12-6-5-11-18(21)19-16-9-3-1-7-14(16)13-15-8-2-4-10-17(15)19;/h1-4,7-10,13,18H,5-6,11-12,20-21H2;1H/t18-;/m1./s1
InChIKeyJZXGNYYEAAUKES-GMUIIQOCSA-N
MW314.86 g/mol
LogP4.54
Rot. Bonds5

About (1R)-1-anthracen-9-ylpentane-1,5-diamine;hydrochloride

(1R)-1-anthracen-9-ylpentane-1,5-diamine;hydrochloride (PubChem CID 171197562) has the molecular formula C19H23ClN2 and a molecular weight of 314.86 g/mol. Its IUPAC name is (1R)-1-anthracen-9-ylpentane-1,5-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-anthracen-9-ylpentane-1,5-diamine;hydrochloride
PubChem CID171197562
Molecular FormulaC19H23ClN2
Molecular Weight314.86 g/mol
Exact Mass314.15
IUPAC Name(1R)-1-anthracen-9-ylpentane-1,5-diamine;hydrochloride
SMILESCl.NCCCC[C@@H](N)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C19H22N2.ClH/c20-12-6-5-11-18(21)19-16-9-3-1-7-14(16)13-15-8-2-4-10-17(15)19;/h1-4,7-10,13,18H,5-6,11-12,20-21H2;1H/t18-;/m1./s1
InChIKeyJZXGNYYEAAUKES-GMUIIQOCSA-N
XLogP4.54
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(2-methoxynaphthalen-1-yl)pentane-1,5-diamine;hydrochloride
CID 171212923
(1S)-1-anthracen-9-yl-2-fluoroethanamine
CID 171197554
(2S)-2-amino-2-anthracen-9-ylethanol
CID 11623207
(1R)-1-phenanthren-9-ylbutane-1,4-diamine
CID 171212804
(1R)-1-anthracen-9-ylbut-3-en-1-amine;hydrochloride
CID 171197568
(1S)-1-naphthalen-2-ylpentane-1,5-diamine;hydrochloride
CID 171220846
1-(2,3-dimethylnaphthalen-1-yl)tetradecan-1-amine;hydrochloride
CID 174059306
(1S)-1-(2,6-dimethylphenyl)pentane-1,5-diamine
CID 171223884
4-anthracen-9-yloxybutan-1-amine
CID 14373236
1-(2,3-dimethylnaphthalen-1-yl)hexadecan-1-amine
CID 21316096
1-(2,3-dimethylnaphthalen-1-yl)dodecan-1-amine
CID 21316120
(1S)-1-(2-methoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride
CID 171232538

Frequently Asked Questions

What is the IUPAC name of (1R)-1-anthracen-9-ylpentane-1,5-diamine;hydrochloride?
The IUPAC name of (1R)-1-anthracen-9-ylpentane-1,5-diamine;hydrochloride (CID 171197562) is (1R)-1-anthracen-9-ylpentane-1,5-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-anthracen-9-ylpentane-1,5-diamine;hydrochloride?
The canonical SMILES for (1R)-1-anthracen-9-ylpentane-1,5-diamine;hydrochloride is Cl.NCCCC[C@@H](N)c1c2ccccc2cc2ccccc12.
What is the InChIKey of (1R)-1-anthracen-9-ylpentane-1,5-diamine;hydrochloride?
The InChIKey is JZXGNYYEAAUKES-GMUIIQOCSA-N. The full InChI is InChI=1S/C19H22N2.ClH/c20-12-6-5-11-18(21)19-16-9-3-1-7-14(16)13-15-8-2-4-10-17(15)19;/h1-4,7-10,13,18H,5-6,11-12,20-21H2;1H/t18-;/m1./s1.
What are the key properties of (1R)-1-anthracen-9-ylpentane-1,5-diamine;hydrochloride?
(1R)-1-anthracen-9-ylpentane-1,5-diamine;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-anthracen-9-ylpentane-1,5-diamine;hydrochloride is sourced from PubChem (CID 171197562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).