2-[ethyl-[2-[2-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethyl]amino]acetonitrile

C18H40N6 — CID 155002501

IUPAC2-[ethyl-[2-[2-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethyl]amino]acetonitrile
SMILESCCN(C)CCN(C)CCN(C)CCN(C)CCN(CC)CC#N
InChIInChI=1S/C18H40N6/c1-7-20(3)11-12-21(4)13-14-22(5)15-16-23(6)17-18-24(8-2)10-9-19/h7-8,10-18H2,1-6H3
InChIKeyTXHKYDSCQIJZFC-UHFFFAOYSA-N
MW340.56 g/mol
LogP0.58
Rot. Bonds15

About 2-[ethyl-[2-[2-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethyl]amino]acetonitrile

2-[ethyl-[2-[2-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethyl]amino]acetonitrile (PubChem CID 155002501) has the molecular formula C18H40N6 and a molecular weight of 340.56 g/mol. Its IUPAC name is 2-[ethyl-[2-[2-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethyl]amino]acetonitrile.

Molecular Properties

Compound Name2-[ethyl-[2-[2-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethyl]amino]acetonitrile
PubChem CID155002501
Molecular FormulaC18H40N6
Molecular Weight340.56 g/mol
Exact Mass340.33
IUPAC Name2-[ethyl-[2-[2-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethyl]amino]acetonitrile
SMILESCCN(C)CCN(C)CCN(C)CCN(C)CCN(CC)CC#N
InChIInChI=1S/C18H40N6/c1-7-20(3)11-12-21(4)13-14-22(5)15-16-23(6)17-18-24(8-2)10-9-19/h7-8,10-18H2,1-6H3
InChIKeyTXHKYDSCQIJZFC-UHFFFAOYSA-N
XLogP0.58
TPSA39.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.56
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-[2-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethyl]amino]acetonitrile?
The IUPAC name of 2-[ethyl-[2-[2-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethyl]amino]acetonitrile (CID 155002501) is 2-[ethyl-[2-[2-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethyl]amino]acetonitrile.
What is the SMILES notation for 2-[ethyl-[2-[2-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethyl]amino]acetonitrile?
The canonical SMILES for 2-[ethyl-[2-[2-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethyl]amino]acetonitrile is CCN(C)CCN(C)CCN(C)CCN(C)CCN(CC)CC#N.
What is the InChIKey of 2-[ethyl-[2-[2-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethyl]amino]acetonitrile?
The InChIKey is TXHKYDSCQIJZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N6/c1-7-20(3)11-12-21(4)13-14-22(5)15-16-23(6)17-18-24(8-2)10-9-19/h7-8,10-18H2,1-6H3.
What are the key properties of 2-[ethyl-[2-[2-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethyl]amino]acetonitrile?
2-[ethyl-[2-[2-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethyl]amino]acetonitrile has a molecular weight of 340.56 g/mol, XLogP of 0.58, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-[2-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethyl]amino]acetonitrile is sourced from PubChem (CID 155002501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).