1-(6-methylheptan-2-yl)-2-(quinolin-8-ylmethyl)guanidine;hydroiodide

C19H29IN4 — CID 111089599

IUPAC1-(6-methylheptan-2-yl)-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
SMILESCC(C)CCCC(C)N/C(N)=N/Cc1cccc2cccnc12.I
InChIInChI=1S/C19H28N4.HI/c1-14(2)7-4-8-15(3)23-19(20)22-13-17-10-5-9-16-11-6-12-21-18(16)17;/h5-6,9-12,14-15H,4,7-8,13H2,1-3H3,(H3,20,22,23);1H
InChIKeyKSXZFZUNTGHKAL-UHFFFAOYSA-N
MW440.37 g/mol
LogP4.47
Rot. Bonds7

About 1-(6-methylheptan-2-yl)-2-(quinolin-8-ylmethyl)guanidine;hydroiodide

1-(6-methylheptan-2-yl)-2-(quinolin-8-ylmethyl)guanidine;hydroiodide (PubChem CID 111089599) has the molecular formula C19H29IN4 and a molecular weight of 440.37 g/mol. Its IUPAC name is 1-(6-methylheptan-2-yl)-2-(quinolin-8-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(6-methylheptan-2-yl)-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
PubChem CID111089599
Molecular FormulaC19H29IN4
Molecular Weight440.37 g/mol
Exact Mass440.14
IUPAC Name1-(6-methylheptan-2-yl)-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
SMILESCC(C)CCCC(C)N/C(N)=N/Cc1cccc2cccnc12.I
InChIInChI=1S/C19H28N4.HI/c1-14(2)7-4-8-15(3)23-19(20)22-13-17-10-5-9-16-11-6-12-21-18(16)17;/h5-6,9-12,14-15H,4,7-8,13H2,1-3H3,(H3,20,22,23);1H
InChIKeyKSXZFZUNTGHKAL-UHFFFAOYSA-N
XLogP4.47
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.37
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-propan-2-ylphenyl)-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 111089630
2-[(2-methoxy-4-pyridinyl)methyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111041582
1-(6-methylheptan-2-yl)-2-[(1-methyl-3-phenylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 110029033
2-[(4-methoxyphenyl)methyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111024362
2-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1-(6-methylheptan-2-yl)guanidine
CID 111824025
1-(6-methylheptan-2-yl)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 111822416
5-methyl-1-quinolin-8-ylhexan-1-ol
CID 83158737
1-(6-methylheptan-2-yl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 111063330
2-[(2,4-dimethoxyphenyl)methyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111044199
2-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111051513
1-(6-methylheptan-2-yl)-2-[[1-(2-phenylethyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 111911581
1-cyclopropyl-1-methyl-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 110030751

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylheptan-2-yl)-2-(quinolin-8-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-(6-methylheptan-2-yl)-2-(quinolin-8-ylmethyl)guanidine;hydroiodide (CID 111089599) is 1-(6-methylheptan-2-yl)-2-(quinolin-8-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(6-methylheptan-2-yl)-2-(quinolin-8-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-(6-methylheptan-2-yl)-2-(quinolin-8-ylmethyl)guanidine;hydroiodide is CC(C)CCCC(C)N/C(N)=N/Cc1cccc2cccnc12.I.
What is the InChIKey of 1-(6-methylheptan-2-yl)-2-(quinolin-8-ylmethyl)guanidine;hydroiodide?
The InChIKey is KSXZFZUNTGHKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4.HI/c1-14(2)7-4-8-15(3)23-19(20)22-13-17-10-5-9-16-11-6-12-21-18(16)17;/h5-6,9-12,14-15H,4,7-8,13H2,1-3H3,(H3,20,22,23);1H.
What are the key properties of 1-(6-methylheptan-2-yl)-2-(quinolin-8-ylmethyl)guanidine;hydroiodide?
1-(6-methylheptan-2-yl)-2-(quinolin-8-ylmethyl)guanidine;hydroiodide has a molecular weight of 440.37 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylheptan-2-yl)-2-(quinolin-8-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 111089599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).