N"-[(4R)-4-ethyl-5-methylideneheptyl]methanetriamine

C11H25N3 — CID 166750995

IUPACN"-[(4R)-4-ethyl-5-methylideneheptyl]methanetriamine
SMILESC=C(CC)[C@H](CC)CCCNC(N)N
InChIInChI=1S/C11H25N3/c1-4-9(3)10(5-2)7-6-8-14-11(12)13/h10-11,14H,3-8,12-13H2,1-2H3/t10-/m1/s1
InChIKeyRHHRHQUJQMMMPO-SNVBAGLBSA-N
MW199.34 g/mol
LogP1.55
Rot. Bonds8

About N"-[(4R)-4-ethyl-5-methylideneheptyl]methanetriamine

N"-[(4R)-4-ethyl-5-methylideneheptyl]methanetriamine (PubChem CID 166750995) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is N"-[(4R)-4-ethyl-5-methylideneheptyl]methanetriamine.

Molecular Properties

Compound NameN"-[(4R)-4-ethyl-5-methylideneheptyl]methanetriamine
PubChem CID166750995
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC NameN"-[(4R)-4-ethyl-5-methylideneheptyl]methanetriamine
SMILESC=C(CC)[C@H](CC)CCCNC(N)N
InChIInChI=1S/C11H25N3/c1-4-9(3)10(5-2)7-6-8-14-11(12)13/h10-11,14H,3-8,12-13H2,1-2H3/t10-/m1/s1
InChIKeyRHHRHQUJQMMMPO-SNVBAGLBSA-N
XLogP1.55
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N"-[(4R)-4-ethyl-5-methylideneheptyl]methanetriamine?
The IUPAC name of N"-[(4R)-4-ethyl-5-methylideneheptyl]methanetriamine (CID 166750995) is N"-[(4R)-4-ethyl-5-methylideneheptyl]methanetriamine.
What is the SMILES notation for N"-[(4R)-4-ethyl-5-methylideneheptyl]methanetriamine?
The canonical SMILES for N"-[(4R)-4-ethyl-5-methylideneheptyl]methanetriamine is C=C(CC)[C@H](CC)CCCNC(N)N.
What is the InChIKey of N"-[(4R)-4-ethyl-5-methylideneheptyl]methanetriamine?
The InChIKey is RHHRHQUJQMMMPO-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H25N3/c1-4-9(3)10(5-2)7-6-8-14-11(12)13/h10-11,14H,3-8,12-13H2,1-2H3/t10-/m1/s1.
What are the key properties of N"-[(4R)-4-ethyl-5-methylideneheptyl]methanetriamine?
N"-[(4R)-4-ethyl-5-methylideneheptyl]methanetriamine has a molecular weight of 199.34 g/mol, XLogP of 1.55, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N"-[(4R)-4-ethyl-5-methylideneheptyl]methanetriamine is sourced from PubChem (CID 166750995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).