N,N'-bis[2-(4-methylpentan-2-ylideneamino)ethyl]ethane-1,2-diamine

C18H38N4 — CID 18659999

IUPACN,N'-bis[2-(4-methylpentan-2-ylideneamino)ethyl]ethane-1,2-diamine
SMILESC/C(CC(C)C)=N\CCNCCNCC/N=C(\C)CC(C)C
InChIInChI=1S/C18H38N4/c1-15(2)13-17(5)21-11-9-19-7-8-20-10-12-22-18(6)14-16(3)4/h15-16,19-20H,7-14H2,1-6H3/b21-17+,22-18+
InChIKeyMALQDLVGQHDICZ-KSTNYAOJSA-N
MW310.53 g/mol
LogP3.18
Rot. Bonds13

About N,N'-bis[2-(4-methylpentan-2-ylideneamino)ethyl]ethane-1,2-diamine

N,N'-bis[2-(4-methylpentan-2-ylideneamino)ethyl]ethane-1,2-diamine (PubChem CID 18659999) has the molecular formula C18H38N4 and a molecular weight of 310.53 g/mol. Its IUPAC name is N,N'-bis[2-(4-methylpentan-2-ylideneamino)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis[2-(4-methylpentan-2-ylideneamino)ethyl]ethane-1,2-diamine
PubChem CID18659999
Molecular FormulaC18H38N4
Molecular Weight310.53 g/mol
Exact Mass310.31
IUPAC NameN,N'-bis[2-(4-methylpentan-2-ylideneamino)ethyl]ethane-1,2-diamine
SMILESC/C(CC(C)C)=N\CCNCCNCC/N=C(\C)CC(C)C
InChIInChI=1S/C18H38N4/c1-15(2)13-17(5)21-11-9-19-7-8-20-10-12-22-18(6)14-16(3)4/h15-16,19-20H,7-14H2,1-6H3/b21-17+,22-18+
InChIKeyMALQDLVGQHDICZ-KSTNYAOJSA-N
XLogP3.18
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 53.18
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'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2-(4-methylpentan-2-ylideneamino)ethyl]ethane-1,2-diamine?
The IUPAC name of N,N'-bis[2-(4-methylpentan-2-ylideneamino)ethyl]ethane-1,2-diamine (CID 18659999) is N,N'-bis[2-(4-methylpentan-2-ylideneamino)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis[2-(4-methylpentan-2-ylideneamino)ethyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-bis[2-(4-methylpentan-2-ylideneamino)ethyl]ethane-1,2-diamine is C/C(CC(C)C)=N\CCNCCNCC/N=C(\C)CC(C)C.
What is the InChIKey of N,N'-bis[2-(4-methylpentan-2-ylideneamino)ethyl]ethane-1,2-diamine?
The InChIKey is MALQDLVGQHDICZ-KSTNYAOJSA-N. The full InChI is InChI=1S/C18H38N4/c1-15(2)13-17(5)21-11-9-19-7-8-20-10-12-22-18(6)14-16(3)4/h15-16,19-20H,7-14H2,1-6H3/b21-17+,22-18+.
What are the key properties of N,N'-bis[2-(4-methylpentan-2-ylideneamino)ethyl]ethane-1,2-diamine?
N,N'-bis[2-(4-methylpentan-2-ylideneamino)ethyl]ethane-1,2-diamine has a molecular weight of 310.53 g/mol, XLogP of 3.18, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2-(4-methylpentan-2-ylideneamino)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 18659999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).