N'-methyl-N'-[2-(propan-2-ylideneamino)ethyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]ethane-1,2-diamine

C17H37N5 — CID 91198624

IUPACN'-methyl-N'-[2-(propan-2-ylideneamino)ethyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]ethane-1,2-diamine
SMILESCC(C)=NCCN(C)CCNCCN1CCN(C(C)C)CC1
InChIInChI=1S/C17H37N5/c1-16(2)19-8-10-20(5)9-6-18-7-11-21-12-14-22(15-13-21)17(3)4/h17-18H,6-15H2,1-5H3
InChIKeyMNEIBUMHUUAVHK-UHFFFAOYSA-N
MW311.52 g/mol
LogP1.01
Rot. Bonds10

About N'-methyl-N'-[2-(propan-2-ylideneamino)ethyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]ethane-1,2-diamine

N'-methyl-N'-[2-(propan-2-ylideneamino)ethyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]ethane-1,2-diamine (PubChem CID 91198624) has the molecular formula C17H37N5 and a molecular weight of 311.52 g/mol. Its IUPAC name is N'-methyl-N'-[2-(propan-2-ylideneamino)ethyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[2-(propan-2-ylideneamino)ethyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]ethane-1,2-diamine
PubChem CID91198624
Molecular FormulaC17H37N5
Molecular Weight311.52 g/mol
Exact Mass311.30
IUPAC NameN'-methyl-N'-[2-(propan-2-ylideneamino)ethyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]ethane-1,2-diamine
SMILESCC(C)=NCCN(C)CCNCCN1CCN(C(C)C)CC1
InChIInChI=1S/C17H37N5/c1-16(2)19-8-10-20(5)9-6-18-7-11-21-12-14-22(15-13-21)17(3)4/h17-18H,6-15H2,1-5H3
InChIKeyMNEIBUMHUUAVHK-UHFFFAOYSA-N
XLogP1.01
TPSA34.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.52
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'-methyl-N'-[2-(propan-2-ylideneamino)ethyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[2-(propan-2-ylideneamino)ethyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]ethane-1,2-diamine (CID 91198624) is N'-methyl-N'-[2-(propan-2-ylideneamino)ethyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[2-(propan-2-ylideneamino)ethyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[2-(propan-2-ylideneamino)ethyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]ethane-1,2-diamine is CC(C)=NCCN(C)CCNCCN1CCN(C(C)C)CC1.
What is the InChIKey of N'-methyl-N'-[2-(propan-2-ylideneamino)ethyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]ethane-1,2-diamine?
The InChIKey is MNEIBUMHUUAVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N5/c1-16(2)19-8-10-20(5)9-6-18-7-11-21-12-14-22(15-13-21)17(3)4/h17-18H,6-15H2,1-5H3.
What are the key properties of N'-methyl-N'-[2-(propan-2-ylideneamino)ethyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]ethane-1,2-diamine?
N'-methyl-N'-[2-(propan-2-ylideneamino)ethyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]ethane-1,2-diamine has a molecular weight of 311.52 g/mol, XLogP of 1.01, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[2-(propan-2-ylideneamino)ethyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 91198624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).