N'-(1-benzofuran-2-ylmethyl)-N'-ethyl-N,N-dimethylpentane-1,5-diamine;hydrochloride

C18H29ClN2O — CID 11979286

IUPACN'-(1-benzofuran-2-ylmethyl)-N'-ethyl-N,N-dimethylpentane-1,5-diamine;hydrochloride
SMILESCCN(CCCCCN(C)C)Cc1cc2ccccc2o1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-4-20(13-9-5-8-12-19(2)3)15-17-14-16-10-6-7-11-18(16)21-17;/h6-7,10-11,14H,4-5,8-9,12-13,15H2,1-3H3;1H
InChIKeyAQWHZAPKPWTJQK-UHFFFAOYSA-N
MW324.90 g/mol
LogP4.41
Rot. Bonds9

About N'-(1-benzofuran-2-ylmethyl)-N'-ethyl-N,N-dimethylpentane-1,5-diamine;hydrochloride

N'-(1-benzofuran-2-ylmethyl)-N'-ethyl-N,N-dimethylpentane-1,5-diamine;hydrochloride (PubChem CID 11979286) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is N'-(1-benzofuran-2-ylmethyl)-N'-ethyl-N,N-dimethylpentane-1,5-diamine;hydrochloride.

Molecular Properties

Compound NameN'-(1-benzofuran-2-ylmethyl)-N'-ethyl-N,N-dimethylpentane-1,5-diamine;hydrochloride
PubChem CID11979286
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC NameN'-(1-benzofuran-2-ylmethyl)-N'-ethyl-N,N-dimethylpentane-1,5-diamine;hydrochloride
SMILESCCN(CCCCCN(C)C)Cc1cc2ccccc2o1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-4-20(13-9-5-8-12-19(2)3)15-17-14-16-10-6-7-11-18(16)21-17;/h6-7,10-11,14H,4-5,8-9,12-13,15H2,1-3H3;1H
InChIKeyAQWHZAPKPWTJQK-UHFFFAOYSA-N
XLogP4.41
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(1-benzofuran-2-ylmethyl)-N'-ethyl-N,N-dimethylpentane-1,5-diamine;hydrochloride?
The IUPAC name of N'-(1-benzofuran-2-ylmethyl)-N'-ethyl-N,N-dimethylpentane-1,5-diamine;hydrochloride (CID 11979286) is N'-(1-benzofuran-2-ylmethyl)-N'-ethyl-N,N-dimethylpentane-1,5-diamine;hydrochloride.
What is the SMILES notation for N'-(1-benzofuran-2-ylmethyl)-N'-ethyl-N,N-dimethylpentane-1,5-diamine;hydrochloride?
The canonical SMILES for N'-(1-benzofuran-2-ylmethyl)-N'-ethyl-N,N-dimethylpentane-1,5-diamine;hydrochloride is CCN(CCCCCN(C)C)Cc1cc2ccccc2o1.Cl.
What is the InChIKey of N'-(1-benzofuran-2-ylmethyl)-N'-ethyl-N,N-dimethylpentane-1,5-diamine;hydrochloride?
The InChIKey is AQWHZAPKPWTJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.ClH/c1-4-20(13-9-5-8-12-19(2)3)15-17-14-16-10-6-7-11-18(16)21-17;/h6-7,10-11,14H,4-5,8-9,12-13,15H2,1-3H3;1H.
What are the key properties of N'-(1-benzofuran-2-ylmethyl)-N'-ethyl-N,N-dimethylpentane-1,5-diamine;hydrochloride?
N'-(1-benzofuran-2-ylmethyl)-N'-ethyl-N,N-dimethylpentane-1,5-diamine;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 4.41, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-benzofuran-2-ylmethyl)-N'-ethyl-N,N-dimethylpentane-1,5-diamine;hydrochloride is sourced from PubChem (CID 11979286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).