1-(diaminomethylideneamino)-1-(2-ethyldodecyl)guanidine

C16H36N6 — CID 57191838

IUPAC1-(diaminomethylideneamino)-1-(2-ethyldodecyl)guanidine
SMILES[H]/N=C(\N)N(CC(CC)CCCCCCCCCC)N=C(N)N
InChIInChI=1S/C16H36N6/c1-3-5-6-7-8-9-10-11-12-14(4-2)13-22(16(19)20)21-15(17)18/h14H,3-13H2,1-2H3,(H3,19,20)(H4,17,18,21)
InChIKeyRFMXONUSPMTBFK-UHFFFAOYSA-N
MW312.51 g/mol
LogP2.93
Rot. Bonds13

About 1-(diaminomethylideneamino)-1-(2-ethyldodecyl)guanidine

1-(diaminomethylideneamino)-1-(2-ethyldodecyl)guanidine (PubChem CID 57191838) has the molecular formula C16H36N6 and a molecular weight of 312.51 g/mol. Its IUPAC name is 1-(diaminomethylideneamino)-1-(2-ethyldodecyl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylideneamino)-1-(2-ethyldodecyl)guanidine
PubChem CID57191838
Molecular FormulaC16H36N6
Molecular Weight312.51 g/mol
Exact Mass312.30
IUPAC Name1-(diaminomethylideneamino)-1-(2-ethyldodecyl)guanidine
SMILES[H]/N=C(\N)N(CC(CC)CCCCCCCCCC)N=C(N)N
InChIInChI=1S/C16H36N6/c1-3-5-6-7-8-9-10-11-12-14(4-2)13-22(16(19)20)21-15(17)18/h14H,3-13H2,1-2H3,(H3,19,20)(H4,17,18,21)
InChIKeyRFMXONUSPMTBFK-UHFFFAOYSA-N
XLogP2.93
TPSA117.51 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.51
LogP ≤ 52.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-carbamimidamidoguanidine;1-(diaminomethylideneamino)-1-dodecylguanidine
CID 176538170
2-ethyl-N,N-dimethylundecan-1-amine
CID 87794341
3-ethylpentacosane
CID 22224239
3-ethylicosane
CID 528487
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
1-(diaminomethylideneamino)-1-prop-2-enylguanidine
CID 91460470
1-dodecyl-1-pentylguanidine
CID 88762865
2-(2-octyldodecyl)guanidine
CID 139725194
2-(2-decyltetradecyl)guanidine
CID 88879989

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylideneamino)-1-(2-ethyldodecyl)guanidine?
The IUPAC name of 1-(diaminomethylideneamino)-1-(2-ethyldodecyl)guanidine (CID 57191838) is 1-(diaminomethylideneamino)-1-(2-ethyldodecyl)guanidine.
What is the SMILES notation for 1-(diaminomethylideneamino)-1-(2-ethyldodecyl)guanidine?
The canonical SMILES for 1-(diaminomethylideneamino)-1-(2-ethyldodecyl)guanidine is [H]/N=C(\N)N(CC(CC)CCCCCCCCCC)N=C(N)N.
What is the InChIKey of 1-(diaminomethylideneamino)-1-(2-ethyldodecyl)guanidine?
The InChIKey is RFMXONUSPMTBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N6/c1-3-5-6-7-8-9-10-11-12-14(4-2)13-22(16(19)20)21-15(17)18/h14H,3-13H2,1-2H3,(H3,19,20)(H4,17,18,21).
What are the key properties of 1-(diaminomethylideneamino)-1-(2-ethyldodecyl)guanidine?
1-(diaminomethylideneamino)-1-(2-ethyldodecyl)guanidine has a molecular weight of 312.51 g/mol, XLogP of 2.93, 13 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylideneamino)-1-(2-ethyldodecyl)guanidine is sourced from PubChem (CID 57191838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).