2-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]guanidine

C14H23N5 — CID 168590771

IUPAC2-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]guanidine
SMILESCCCCN(C)Cc1cccc(C=NN=C(N)N)c1
InChIInChI=1S/C14H23N5/c1-3-4-8-19(2)11-13-7-5-6-12(9-13)10-17-18-14(15)16/h5-7,9-10H,3-4,8,11H2,1-2H3,(H4,15,16,18)
InChIKeyUQCGYAFHHGWZBL-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.53
Rot. Bonds7

About 2-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]guanidine

2-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]guanidine (PubChem CID 168590771) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]guanidine
PubChem CID168590771
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name2-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]guanidine
SMILESCCCCN(C)Cc1cccc(C=NN=C(N)N)c1
InChIInChI=1S/C14H23N5/c1-3-4-8-19(2)11-13-7-5-6-12(9-13)10-17-18-14(15)16/h5-7,9-10H,3-4,8,11H2,1-2H3,(H4,15,16,18)
InChIKeyUQCGYAFHHGWZBL-UHFFFAOYSA-N
XLogP1.53
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]aniline
CID 169382052
2-[(E)-(3-butoxyphenyl)methylideneamino]guanidine
CID 110340446
(E)-3-[3-[[methyl(pentyl)amino]methyl]phenyl]prop-2-enoic acid
CID 109375462
3-[[butyl(methyl)amino]methyl]benzohydrazide
CID 63569748
2-[(E)-[4-(dibutylamino)phenyl]methylideneamino]guanidine
CID 87880623
N-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617446
3-[[methyl(propyl)amino]methyl]benzaldehyde
CID 20724863
2-[(3-ethoxyphenyl)methylideneamino]guanidine
CID 76880079
3-[3-[[butyl(methyl)amino]methyl]phenyl]propanoic acid
CID 84758615
N-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine
CID 71201517
2-[(E)-(4-octylphenyl)methylideneamino]guanidine
CID 166950257
methyl 3-[[butyl(methyl)amino]methyl]benzoate
CID 78791084

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]guanidine (CID 168590771) is 2-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]guanidine is CCCCN(C)Cc1cccc(C=NN=C(N)N)c1.
What is the InChIKey of 2-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]guanidine?
The InChIKey is UQCGYAFHHGWZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-3-4-8-19(2)11-13-7-5-6-12(9-13)10-17-18-14(15)16/h5-7,9-10H,3-4,8,11H2,1-2H3,(H4,15,16,18).
What are the key properties of 2-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]guanidine?
2-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]guanidine has a molecular weight of 261.37 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]guanidine is sourced from PubChem (CID 168590771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).