N,N-dibutyl-4-hexoxynaphthalene-1-carboximidamide

C25H38N2O — CID 13986

IUPACN,N-dibutyl-4-hexoxynaphthalene-1-carboximidamide
SMILES[H]/N=C(/c1ccc(OCCCCCC)c2ccccc12)N(CCCC)CCCC
InChIInChI=1S/C25H38N2O/c1-4-7-10-13-20-28-24-17-16-23(21-14-11-12-15-22(21)24)25(26)27(18-8-5-2)19-9-6-3/h11-12,14-17,26H,4-10,13,18-20H2,1-3H3/b26-25-
InChIKeyFGGFIMIICGZCCJ-QPLCGJKRSA-N
MW382.59 g/mol
LogP7.03
Rot. Bonds13

About N,N-dibutyl-4-hexoxynaphthalene-1-carboximidamide

N,N-dibutyl-4-hexoxynaphthalene-1-carboximidamide (PubChem CID 13986) has the molecular formula C25H38N2O and a molecular weight of 382.59 g/mol. Its IUPAC name is N,N-dibutyl-4-hexoxynaphthalene-1-carboximidamide.

Molecular Properties

Compound NameN,N-dibutyl-4-hexoxynaphthalene-1-carboximidamide
PubChem CID13986
Molecular FormulaC25H38N2O
Molecular Weight382.59 g/mol
Exact Mass382.30
IUPAC NameN,N-dibutyl-4-hexoxynaphthalene-1-carboximidamide
SMILES[H]/N=C(/c1ccc(OCCCCCC)c2ccccc12)N(CCCC)CCCC
InChIInChI=1S/C25H38N2O/c1-4-7-10-13-20-28-24-17-16-23(21-14-11-12-15-22(21)24)25(26)27(18-8-5-2)19-9-6-3/h11-12,14-17,26H,4-10,13,18-20H2,1-3H3/b26-25-
InChIKeyFGGFIMIICGZCCJ-QPLCGJKRSA-N
XLogP7.03
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-4-hexoxynaphthalene-1-carboximidamide?
The IUPAC name of N,N-dibutyl-4-hexoxynaphthalene-1-carboximidamide (CID 13986) is N,N-dibutyl-4-hexoxynaphthalene-1-carboximidamide.
What is the SMILES notation for N,N-dibutyl-4-hexoxynaphthalene-1-carboximidamide?
The canonical SMILES for N,N-dibutyl-4-hexoxynaphthalene-1-carboximidamide is [H]/N=C(/c1ccc(OCCCCCC)c2ccccc12)N(CCCC)CCCC.
What is the InChIKey of N,N-dibutyl-4-hexoxynaphthalene-1-carboximidamide?
The InChIKey is FGGFIMIICGZCCJ-QPLCGJKRSA-N. The full InChI is InChI=1S/C25H38N2O/c1-4-7-10-13-20-28-24-17-16-23(21-14-11-12-15-22(21)24)25(26)27(18-8-5-2)19-9-6-3/h11-12,14-17,26H,4-10,13,18-20H2,1-3H3/b26-25-.
What are the key properties of N,N-dibutyl-4-hexoxynaphthalene-1-carboximidamide?
N,N-dibutyl-4-hexoxynaphthalene-1-carboximidamide has a molecular weight of 382.59 g/mol, XLogP of 7.03, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-4-hexoxynaphthalene-1-carboximidamide is sourced from PubChem (CID 13986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).