(2R)-2-amino-4-(4-octylphenyl)butanimidamide;dihydrochloride

C18H33Cl2N3 — CID 118255375

IUPAC(2R)-2-amino-4-(4-octylphenyl)butanimidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)[C@H](N)CCc1ccc(CCCCCCCC)cc1
InChIInChI=1S/C18H31N3.2ClH/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)13-14-17(19)18(20)21;;/h9-12,17H,2-8,13-14,19H2,1H3,(H3,20,21);2*1H/t17-;;/m1../s1
InChIKeyNVCUBWILORDZJJ-ZEECNFPPSA-N
MW362.39 g/mol
LogP4.63
Rot. Bonds11

About (2R)-2-amino-4-(4-octylphenyl)butanimidamide;dihydrochloride

(2R)-2-amino-4-(4-octylphenyl)butanimidamide;dihydrochloride (PubChem CID 118255375) has the molecular formula C18H33Cl2N3 and a molecular weight of 362.39 g/mol. Its IUPAC name is (2R)-2-amino-4-(4-octylphenyl)butanimidamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-4-(4-octylphenyl)butanimidamide;dihydrochloride
PubChem CID118255375
Molecular FormulaC18H33Cl2N3
Molecular Weight362.39 g/mol
Exact Mass361.21
IUPAC Name(2R)-2-amino-4-(4-octylphenyl)butanimidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)[C@H](N)CCc1ccc(CCCCCCCC)cc1
InChIInChI=1S/C18H31N3.2ClH/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)13-14-17(19)18(20)21;;/h9-12,17H,2-8,13-14,19H2,1H3,(H3,20,21);2*1H/t17-;;/m1../s1
InChIKeyNVCUBWILORDZJJ-ZEECNFPPSA-N
XLogP4.63
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (2R)-2-amino-4-(4-octylphenyl)butanimidamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-(4-octylphenyl)butan-1-ol;hydrochloride
CID 10064205
4-decylbenzenecarboximidamide;hydrochloride
CID 18941670
methyl 2-amino-4-(4-octylphenyl)butanoate;hydrochloride
CID 22618877
N-(1-amino-1-iminopropan-2-yl)-4-octylbenzamide;hydrochloride
CID 75170820
(2S)-2-amino-3-(4-undecylphenyl)propan-1-ol;hydrochloride
CID 66563411
(2S)-2-amino-3-(4-hexylphenyl)propan-1-ol
CID 66563404
1-(8-methylnonyl)-4-pentylbenzene
CID 158864216
1-(6-methylheptyl)-4-pentylbenzene
CID 158425503
4-amino-6-hydroxy-1-(4-octylphenyl)hexan-3-one
CID 58507002
(2R)-2-amino-4-hydroxy-N-(4-octylphenyl)butanamide
CID 45254608
2-amino-4-hydroxy-N-(4-octylphenyl)butanamide
CID 45483181
2-methyl-4-phenylbutanimidamide;hydrochloride
CID 175069791

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-(4-octylphenyl)butanimidamide;dihydrochloride?
The IUPAC name of (2R)-2-amino-4-(4-octylphenyl)butanimidamide;dihydrochloride (CID 118255375) is (2R)-2-amino-4-(4-octylphenyl)butanimidamide;dihydrochloride.
What is the SMILES notation for (2R)-2-amino-4-(4-octylphenyl)butanimidamide;dihydrochloride?
The canonical SMILES for (2R)-2-amino-4-(4-octylphenyl)butanimidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)[C@H](N)CCc1ccc(CCCCCCCC)cc1.
What is the InChIKey of (2R)-2-amino-4-(4-octylphenyl)butanimidamide;dihydrochloride?
The InChIKey is NVCUBWILORDZJJ-ZEECNFPPSA-N. The full InChI is InChI=1S/C18H31N3.2ClH/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)13-14-17(19)18(20)21;;/h9-12,17H,2-8,13-14,19H2,1H3,(H3,20,21);2*1H/t17-;;/m1../s1.
What are the key properties of (2R)-2-amino-4-(4-octylphenyl)butanimidamide;dihydrochloride?
(2R)-2-amino-4-(4-octylphenyl)butanimidamide;dihydrochloride has a molecular weight of 362.39 g/mol, XLogP of 4.63, 11 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-(4-octylphenyl)butanimidamide;dihydrochloride is sourced from PubChem (CID 118255375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).