3-amino-4-(naphthalen-1-ylmethylamino)-N'-propan-2-ylbenzenecarboximidamide

C21H24N4 — CID 11494400

IUPAC3-amino-4-(naphthalen-1-ylmethylamino)-N'-propan-2-ylbenzenecarboximidamide
SMILESCC(C)/N=C(\N)c1ccc(NCc2cccc3ccccc23)c(N)c1
InChIInChI=1S/C21H24N4/c1-14(2)25-21(23)16-10-11-20(19(22)12-16)24-13-17-8-5-7-15-6-3-4-9-18(15)17/h3-12,14,24H,13,22H2,1-2H3,(H2,23,25)
InChIKeyODGGSOXRTPCPRU-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.15
Rot. Bonds5

About 3-amino-4-(naphthalen-1-ylmethylamino)-N'-propan-2-ylbenzenecarboximidamide

3-amino-4-(naphthalen-1-ylmethylamino)-N'-propan-2-ylbenzenecarboximidamide (PubChem CID 11494400) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 3-amino-4-(naphthalen-1-ylmethylamino)-N'-propan-2-ylbenzenecarboximidamide.

Molecular Properties

Compound Name3-amino-4-(naphthalen-1-ylmethylamino)-N'-propan-2-ylbenzenecarboximidamide
PubChem CID11494400
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name3-amino-4-(naphthalen-1-ylmethylamino)-N'-propan-2-ylbenzenecarboximidamide
SMILESCC(C)/N=C(\N)c1ccc(NCc2cccc3ccccc23)c(N)c1
InChIInChI=1S/C21H24N4/c1-14(2)25-21(23)16-10-11-20(19(22)12-16)24-13-17-8-5-7-15-6-3-4-9-18(15)17/h3-12,14,24H,13,22H2,1-2H3,(H2,23,25)
InChIKeyODGGSOXRTPCPRU-UHFFFAOYSA-N
XLogP4.15
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1-N-(naphthalen-1-ylmethyl)benzene-1,2-diamine
CID 62369100
3-amino-4-[(2-methoxyphenyl)methylamino]benzamide
CID 43448336
4-(naphthalen-1-ylmethylamino)benzene-1,3-diol
CID 69009648
2-methyl-N-(naphthalen-1-ylmethyl)aniline
CID 28524236
1-naphthalen-1-yl-2-propan-2-ylguanidine
CID 55068402
3-amino-N,N-dimethyl-4-[(2-methylphenyl)methylamino]benzamide
CID 82992007
2-(naphthalen-1-ylmethylamino)pyridine-4-carbothioamide
CID 62370127
5-amino-2-(2-methylpropylamino)-N-(naphthalen-1-ylmethyl)benzamide
CID 163231497
1-N-[(2-ethylphenyl)methyl]-4-methylbenzene-1,2-diamine
CID 64682149
2-(naphthalen-1-ylmethylamino)propan-1-ol
CID 43499773
3-chloro-2-methyl-N-(naphthalen-1-ylmethyl)aniline
CID 28543484
1-(naphthalen-1-ylmethyl)-3-propan-2-ylthiourea
CID 115596941

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(naphthalen-1-ylmethylamino)-N'-propan-2-ylbenzenecarboximidamide?
The IUPAC name of 3-amino-4-(naphthalen-1-ylmethylamino)-N'-propan-2-ylbenzenecarboximidamide (CID 11494400) is 3-amino-4-(naphthalen-1-ylmethylamino)-N'-propan-2-ylbenzenecarboximidamide.
What is the SMILES notation for 3-amino-4-(naphthalen-1-ylmethylamino)-N'-propan-2-ylbenzenecarboximidamide?
The canonical SMILES for 3-amino-4-(naphthalen-1-ylmethylamino)-N'-propan-2-ylbenzenecarboximidamide is CC(C)/N=C(\N)c1ccc(NCc2cccc3ccccc23)c(N)c1.
What is the InChIKey of 3-amino-4-(naphthalen-1-ylmethylamino)-N'-propan-2-ylbenzenecarboximidamide?
The InChIKey is ODGGSOXRTPCPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-14(2)25-21(23)16-10-11-20(19(22)12-16)24-13-17-8-5-7-15-6-3-4-9-18(15)17/h3-12,14,24H,13,22H2,1-2H3,(H2,23,25).
What are the key properties of 3-amino-4-(naphthalen-1-ylmethylamino)-N'-propan-2-ylbenzenecarboximidamide?
3-amino-4-(naphthalen-1-ylmethylamino)-N'-propan-2-ylbenzenecarboximidamide has a molecular weight of 332.45 g/mol, XLogP of 4.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(naphthalen-1-ylmethylamino)-N'-propan-2-ylbenzenecarboximidamide is sourced from PubChem (CID 11494400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).