2-[5-(naphthalen-2-ylmethyl)hept-6-enyl]guanidine

C19H25N3 — CID 177001574

IUPAC2-[5-(naphthalen-2-ylmethyl)hept-6-enyl]guanidine
SMILESC=CC(CCCCN=C(N)N)Cc1ccc2ccccc2c1
InChIInChI=1S/C19H25N3/c1-2-15(7-5-6-12-22-19(20)21)13-16-10-11-17-8-3-4-9-18(17)14-16/h2-4,8-11,14-15H,1,5-7,12-13H2,(H4,20,21,22)
InChIKeyDRVQGURKWSDDDP-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.63
Rot. Bonds8

About 2-[5-(naphthalen-2-ylmethyl)hept-6-enyl]guanidine

2-[5-(naphthalen-2-ylmethyl)hept-6-enyl]guanidine (PubChem CID 177001574) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-[5-(naphthalen-2-ylmethyl)hept-6-enyl]guanidine.

Molecular Properties

Compound Name2-[5-(naphthalen-2-ylmethyl)hept-6-enyl]guanidine
PubChem CID177001574
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name2-[5-(naphthalen-2-ylmethyl)hept-6-enyl]guanidine
SMILESC=CC(CCCCN=C(N)N)Cc1ccc2ccccc2c1
InChIInChI=1S/C19H25N3/c1-2-15(7-5-6-12-22-19(20)21)13-16-10-11-17-8-3-4-9-18(17)14-16/h2-4,8-11,14-15H,1,5-7,12-13H2,(H4,20,21,22)
InChIKeyDRVQGURKWSDDDP-UHFFFAOYSA-N
XLogP3.63
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[3-[1-[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]-5-but-3-enyl-4-(2-naphthalen-2-ylacetyl)piperazin-2-yl]propyl]guanidine
CID 143412473
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 175731663
dihydroxy(oxo)azanium;2-(naphthalen-2-ylmethyl)guanidine
CID 6331948
(2R)-2-amino-5-(diaminomethylideneamino)-2-(2-naphthalen-2-ylacetyl)pentanamide
CID 152752799
(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]propanoic acid
CID 175747779
(2R)-5-(diaminomethylideneamino)-N-naphthalen-1-yl-2-(naphthalen-2-ylmethylamino)pentanamide
CID 101159513
5-(diaminomethylideneamino)-2-(naphthalen-2-ylamino)pentanoic acid
CID 174579623
(2R)-N-(diaminomethylidene)-3-naphthalen-2-yl-2-phenylpropanamide
CID 90028017
2-(2-naphthalen-2-ylethyl)-1-phenylguanidine
CID 110926253
(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]propanoyl]amino]-3-sulfanylpropanoic acid
CID 175713685
6-naphthalen-2-ylhexan-2-ol
CID 19933710
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid
CID 175887002

Frequently Asked Questions

What is the IUPAC name of 2-[5-(naphthalen-2-ylmethyl)hept-6-enyl]guanidine?
The IUPAC name of 2-[5-(naphthalen-2-ylmethyl)hept-6-enyl]guanidine (CID 177001574) is 2-[5-(naphthalen-2-ylmethyl)hept-6-enyl]guanidine.
What is the SMILES notation for 2-[5-(naphthalen-2-ylmethyl)hept-6-enyl]guanidine?
The canonical SMILES for 2-[5-(naphthalen-2-ylmethyl)hept-6-enyl]guanidine is C=CC(CCCCN=C(N)N)Cc1ccc2ccccc2c1.
What is the InChIKey of 2-[5-(naphthalen-2-ylmethyl)hept-6-enyl]guanidine?
The InChIKey is DRVQGURKWSDDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-2-15(7-5-6-12-22-19(20)21)13-16-10-11-17-8-3-4-9-18(17)14-16/h2-4,8-11,14-15H,1,5-7,12-13H2,(H4,20,21,22).
What are the key properties of 2-[5-(naphthalen-2-ylmethyl)hept-6-enyl]guanidine?
2-[5-(naphthalen-2-ylmethyl)hept-6-enyl]guanidine has a molecular weight of 295.43 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(naphthalen-2-ylmethyl)hept-6-enyl]guanidine is sourced from PubChem (CID 177001574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).