N,N-bis(2-aminoethyl)-13-methyltetradecanamide;dihydrochloride

C19H43Cl2N3O — CID 11188780

IUPACN,N-bis(2-aminoethyl)-13-methyltetradecanamide;dihydrochloride
SMILESCC(C)CCCCCCCCCCCC(=O)N(CCN)CCN.Cl.Cl
InChIInChI=1S/C19H41N3O.2ClH/c1-18(2)12-10-8-6-4-3-5-7-9-11-13-19(23)22(16-14-20)17-15-21;;/h18H,3-17,20-21H2,1-2H3;2*1H
InChIKeyMUJXIVHNCNDBJC-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.52
Rot. Bonds16

About N,N-bis(2-aminoethyl)-13-methyltetradecanamide;dihydrochloride

N,N-bis(2-aminoethyl)-13-methyltetradecanamide;dihydrochloride (PubChem CID 11188780) has the molecular formula C19H43Cl2N3O and a molecular weight of 400.48 g/mol. Its IUPAC name is N,N-bis(2-aminoethyl)-13-methyltetradecanamide;dihydrochloride.

Molecular Properties

Compound NameN,N-bis(2-aminoethyl)-13-methyltetradecanamide;dihydrochloride
PubChem CID11188780
Molecular FormulaC19H43Cl2N3O
Molecular Weight400.48 g/mol
Exact Mass399.28
IUPAC NameN,N-bis(2-aminoethyl)-13-methyltetradecanamide;dihydrochloride
SMILESCC(C)CCCCCCCCCCCC(=O)N(CCN)CCN.Cl.Cl
InChIInChI=1S/C19H41N3O.2ClH/c1-18(2)12-10-8-6-4-3-5-7-9-11-13-19(23)22(16-14-20)17-15-21;;/h18H,3-17,20-21H2,1-2H3;2*1H
InChIKeyMUJXIVHNCNDBJC-UHFFFAOYSA-N
XLogP4.52
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 170241261
N,8-dimethyl-N-propan-2-ylnonanamide
CID 170241265
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CID 145373236
3-amino-N,N-bis(2-methylpropyl)propanamide;hydrochloride
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(E)-N,N-bis(4-acetamidobutyl)-15-methylhexadec-6-enamide
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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-aminoethyl)-13-methyltetradecanamide;dihydrochloride?
The IUPAC name of N,N-bis(2-aminoethyl)-13-methyltetradecanamide;dihydrochloride (CID 11188780) is N,N-bis(2-aminoethyl)-13-methyltetradecanamide;dihydrochloride.
What is the SMILES notation for N,N-bis(2-aminoethyl)-13-methyltetradecanamide;dihydrochloride?
The canonical SMILES for N,N-bis(2-aminoethyl)-13-methyltetradecanamide;dihydrochloride is CC(C)CCCCCCCCCCCC(=O)N(CCN)CCN.Cl.Cl.
What is the InChIKey of N,N-bis(2-aminoethyl)-13-methyltetradecanamide;dihydrochloride?
The InChIKey is MUJXIVHNCNDBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N3O.2ClH/c1-18(2)12-10-8-6-4-3-5-7-9-11-13-19(23)22(16-14-20)17-15-21;;/h18H,3-17,20-21H2,1-2H3;2*1H.
What are the key properties of N,N-bis(2-aminoethyl)-13-methyltetradecanamide;dihydrochloride?
N,N-bis(2-aminoethyl)-13-methyltetradecanamide;dihydrochloride has a molecular weight of 400.48 g/mol, XLogP of 4.52, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-aminoethyl)-13-methyltetradecanamide;dihydrochloride is sourced from PubChem (CID 11188780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).