N,N'-bis[(Z)-4-methylpentan-2-ylideneamino]hexanediamide

C18H34N4O2 — CID 6146500

IUPACN,N'-bis[(Z)-4-methylpentan-2-ylideneamino]hexanediamide
SMILESC/C(CC(C)C)=N/NC(=O)CCCCC(=O)N/N=C(/C)CC(C)C
InChIInChI=1S/C18H34N4O2/c1-13(2)11-15(5)19-21-17(23)9-7-8-10-18(24)22-20-16(6)12-14(3)4/h13-14H,7-12H2,1-6H3,(H,21,23)(H,22,24)/b19-15-,20-16-
InChIKeyNNIASQDDCPFIBL-IKBKFCNISA-N
MW338.50 g/mol
LogP3.62
Rot. Bonds11

About N,N'-bis[(Z)-4-methylpentan-2-ylideneamino]hexanediamide

N,N'-bis[(Z)-4-methylpentan-2-ylideneamino]hexanediamide (PubChem CID 6146500) has the molecular formula C18H34N4O2 and a molecular weight of 338.50 g/mol. Its IUPAC name is N,N'-bis[(Z)-4-methylpentan-2-ylideneamino]hexanediamide.

Molecular Properties

Compound NameN,N'-bis[(Z)-4-methylpentan-2-ylideneamino]hexanediamide
PubChem CID6146500
Molecular FormulaC18H34N4O2
Molecular Weight338.50 g/mol
Exact Mass338.27
IUPAC NameN,N'-bis[(Z)-4-methylpentan-2-ylideneamino]hexanediamide
SMILESC/C(CC(C)C)=N/NC(=O)CCCCC(=O)N/N=C(/C)CC(C)C
InChIInChI=1S/C18H34N4O2/c1-13(2)11-15(5)19-21-17(23)9-7-8-10-18(24)22-20-16(6)12-14(3)4/h13-14H,7-12H2,1-6H3,(H,21,23)(H,22,24)/b19-15-,20-16-
InChIKeyNNIASQDDCPFIBL-IKBKFCNISA-N
XLogP3.62
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(Z)-4-methylpentan-2-ylideneamino]hexanediamide?
The IUPAC name of N,N'-bis[(Z)-4-methylpentan-2-ylideneamino]hexanediamide (CID 6146500) is N,N'-bis[(Z)-4-methylpentan-2-ylideneamino]hexanediamide.
What is the SMILES notation for N,N'-bis[(Z)-4-methylpentan-2-ylideneamino]hexanediamide?
The canonical SMILES for N,N'-bis[(Z)-4-methylpentan-2-ylideneamino]hexanediamide is C/C(CC(C)C)=N/NC(=O)CCCCC(=O)N/N=C(/C)CC(C)C.
What is the InChIKey of N,N'-bis[(Z)-4-methylpentan-2-ylideneamino]hexanediamide?
The InChIKey is NNIASQDDCPFIBL-IKBKFCNISA-N. The full InChI is InChI=1S/C18H34N4O2/c1-13(2)11-15(5)19-21-17(23)9-7-8-10-18(24)22-20-16(6)12-14(3)4/h13-14H,7-12H2,1-6H3,(H,21,23)(H,22,24)/b19-15-,20-16-.
What are the key properties of N,N'-bis[(Z)-4-methylpentan-2-ylideneamino]hexanediamide?
N,N'-bis[(Z)-4-methylpentan-2-ylideneamino]hexanediamide has a molecular weight of 338.50 g/mol, XLogP of 3.62, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(Z)-4-methylpentan-2-ylideneamino]hexanediamide is sourced from PubChem (CID 6146500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).