1-(6-methylheptan-2-yl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine

C20H34N4 — CID 111065722

IUPAC1-(6-methylheptan-2-yl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
SMILESCC(C)CCCC(C)N/C(N)=N/CC1CCN(c2ccccc2)C1
InChIInChI=1S/C20H34N4/c1-16(2)8-7-9-17(3)23-20(21)22-14-18-12-13-24(15-18)19-10-5-4-6-11-19/h4-6,10-11,16-18H,7-9,12-15H2,1-3H3,(H3,21,22,23)
InChIKeyQHFDEQQVNMYHBC-UHFFFAOYSA-N
MW330.52 g/mol
LogP3.63
Rot. Bonds8

About 1-(6-methylheptan-2-yl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine

1-(6-methylheptan-2-yl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine (PubChem CID 111065722) has the molecular formula C20H34N4 and a molecular weight of 330.52 g/mol. Its IUPAC name is 1-(6-methylheptan-2-yl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(6-methylheptan-2-yl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
PubChem CID111065722
Molecular FormulaC20H34N4
Molecular Weight330.52 g/mol
Exact Mass330.28
IUPAC Name1-(6-methylheptan-2-yl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
SMILESCC(C)CCCC(C)N/C(N)=N/CC1CCN(c2ccccc2)C1
InChIInChI=1S/C20H34N4/c1-16(2)8-7-9-17(3)23-20(21)22-14-18-12-13-24(15-18)19-10-5-4-6-11-19/h4-6,10-11,16-18H,7-9,12-15H2,1-3H3,(H3,21,22,23)
InChIKeyQHFDEQQVNMYHBC-UHFFFAOYSA-N
XLogP3.63
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 53.63
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'}

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Related Compounds

2-[(1-phenylpyrrolidin-3-yl)methyl]-1-propylguanidine
CID 111065706
1-[(2S)-6-methylheptan-2-yl]-2-(oxan-4-ylmethyl)guanidine
CID 99816266
2-[(1-ethylpyrrolidin-3-yl)methyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111065519
1-(cyclobutylmethyl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
CID 111065756
2-[[1-(3-bromophenyl)pyrrolidin-3-yl]methyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111082127
2-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111092749
2-[(1-phenylpyrrolidin-3-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119119120
2-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111076705
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 110999298
1-cyclopropyl-1-methyl-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
CID 110030229
4-methyl-N'-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide
CID 110919195
N-methyl-1-(1-phenylpyrrolidin-3-yl)propan-2-amine
CID 83981144

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylheptan-2-yl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine?
The IUPAC name of 1-(6-methylheptan-2-yl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine (CID 111065722) is 1-(6-methylheptan-2-yl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine.
What is the SMILES notation for 1-(6-methylheptan-2-yl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine?
The canonical SMILES for 1-(6-methylheptan-2-yl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine is CC(C)CCCC(C)N/C(N)=N/CC1CCN(c2ccccc2)C1.
What is the InChIKey of 1-(6-methylheptan-2-yl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine?
The InChIKey is QHFDEQQVNMYHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4/c1-16(2)8-7-9-17(3)23-20(21)22-14-18-12-13-24(15-18)19-10-5-4-6-11-19/h4-6,10-11,16-18H,7-9,12-15H2,1-3H3,(H3,21,22,23).
What are the key properties of 1-(6-methylheptan-2-yl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine?
1-(6-methylheptan-2-yl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine has a molecular weight of 330.52 g/mol, XLogP of 3.63, 8 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-[(1-phenylpyrrolidin-3-yl)methyl]guanidine is sourced from PubChem (CID 111065722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).