2-dodecyl-3,4,5-triiminocyclopentan-1-amine

C17H32N4 — CID 91186532

IUPAC2-dodecyl-3,4,5-triiminocyclopentan-1-amine
SMILES[H]/N=C1C(=N\[H])\C(=N/[H])C(CCCCCCCCCCCC)C\1N
InChIInChI=1S/C17H32N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(18)16(20)17(21)15(13)19/h13-14,19-21H,2-12,18H2,1H3/b19-15-,20-16-,21-17+
InChIKeyLBABBJCYKVPSGZ-UDMMPXBHSA-N
MW292.47 g/mol
LogP4.31
Rot. Bonds11

About 2-dodecyl-3,4,5-triiminocyclopentan-1-amine

2-dodecyl-3,4,5-triiminocyclopentan-1-amine (PubChem CID 91186532) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-dodecyl-3,4,5-triiminocyclopentan-1-amine.

Molecular Properties

Compound Name2-dodecyl-3,4,5-triiminocyclopentan-1-amine
PubChem CID91186532
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name2-dodecyl-3,4,5-triiminocyclopentan-1-amine
SMILES[H]/N=C1C(=N\[H])\C(=N/[H])C(CCCCCCCCCCCC)C\1N
InChIInChI=1S/C17H32N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(18)16(20)17(21)15(13)19/h13-14,19-21H,2-12,18H2,1H3/b19-15-,20-16-,21-17+
InChIKeyLBABBJCYKVPSGZ-UDMMPXBHSA-N
XLogP4.31
TPSA97.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-dodecyl-3,4,5-triiminocyclopentan-1-amine?
The IUPAC name of 2-dodecyl-3,4,5-triiminocyclopentan-1-amine (CID 91186532) is 2-dodecyl-3,4,5-triiminocyclopentan-1-amine.
What is the SMILES notation for 2-dodecyl-3,4,5-triiminocyclopentan-1-amine?
The canonical SMILES for 2-dodecyl-3,4,5-triiminocyclopentan-1-amine is [H]/N=C1C(=N\[H])\C(=N/[H])C(CCCCCCCCCCCC)C\1N.
What is the InChIKey of 2-dodecyl-3,4,5-triiminocyclopentan-1-amine?
The InChIKey is LBABBJCYKVPSGZ-UDMMPXBHSA-N. The full InChI is InChI=1S/C17H32N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(18)16(20)17(21)15(13)19/h13-14,19-21H,2-12,18H2,1H3/b19-15-,20-16-,21-17+.
What are the key properties of 2-dodecyl-3,4,5-triiminocyclopentan-1-amine?
2-dodecyl-3,4,5-triiminocyclopentan-1-amine has a molecular weight of 292.47 g/mol, XLogP of 4.31, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecyl-3,4,5-triiminocyclopentan-1-amine is sourced from PubChem (CID 91186532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).