N'-hexyl-N'-[4-[[(5-methylfuran-2-yl)methylideneamino]methyl]phenyl]-N-propylbutane-1,4-diamine

C26H41N3O — CID 143415741

IUPACN'-hexyl-N'-[4-[[(5-methylfuran-2-yl)methylideneamino]methyl]phenyl]-N-propylbutane-1,4-diamine
SMILESCCCCCCN(CCCCNCCC)c1ccc(C/N=C/c2ccc(C)o2)cc1
InChIInChI=1S/C26H41N3O/c1-4-6-7-9-19-29(20-10-8-18-27-17-5-2)25-14-12-24(13-15-25)21-28-22-26-16-11-23(3)30-26/h11-16,22,27H,4-10,17-21H2,1-3H3/b28-22+
InChIKeyZUOGGLAOWZHFHV-XAYXJRQQSA-N
MW411.63 g/mol
LogP6.37
Rot. Bonds16

About N'-hexyl-N'-[4-[[(5-methylfuran-2-yl)methylideneamino]methyl]phenyl]-N-propylbutane-1,4-diamine

N'-hexyl-N'-[4-[[(5-methylfuran-2-yl)methylideneamino]methyl]phenyl]-N-propylbutane-1,4-diamine (PubChem CID 143415741) has the molecular formula C26H41N3O and a molecular weight of 411.63 g/mol. Its IUPAC name is N'-hexyl-N'-[4-[[(5-methylfuran-2-yl)methylideneamino]methyl]phenyl]-N-propylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-hexyl-N'-[4-[[(5-methylfuran-2-yl)methylideneamino]methyl]phenyl]-N-propylbutane-1,4-diamine
PubChem CID143415741
Molecular FormulaC26H41N3O
Molecular Weight411.63 g/mol
Exact Mass411.32
IUPAC NameN'-hexyl-N'-[4-[[(5-methylfuran-2-yl)methylideneamino]methyl]phenyl]-N-propylbutane-1,4-diamine
SMILESCCCCCCN(CCCCNCCC)c1ccc(C/N=C/c2ccc(C)o2)cc1
InChIInChI=1S/C26H41N3O/c1-4-6-7-9-19-29(20-10-8-18-27-17-5-2)25-14-12-24(13-15-25)21-28-22-26-16-11-23(3)30-26/h11-16,22,27H,4-10,17-21H2,1-3H3/b28-22+
InChIKeyZUOGGLAOWZHFHV-XAYXJRQQSA-N
XLogP6.37
TPSA40.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.63
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-bromohexane;N'-hexyl-N'-[[4-[[(5-methylfuran-2-yl)methylideneamino]methyl]phenyl]methyl]-N,N-dipropylbutane-1,4-diamine;N-[[4-[[(5-methylfuran-2-yl)methylideneamino]methyl]phenyl]methyl]-N',N'-dipropylbutane-1,4-diamine
CID 160619595
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N-[(5-methylfuran-2-yl)methylideneamino]decanamide
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ethyl 2-[4-ethyl-N-[4-(propylamino)butyl]anilino]acetate
CID 143415658
N,N-diethyl-4-[(hexylamino)methyl]aniline;hydrochloride
CID 17293948
N,N-diethyl-4-[(heptylamino)methyl]aniline;hydrochloride
CID 17293965
N'-(4-ethylphenyl)-N'-methyl-N-propylbutane-1,4-diamine
CID 62434751
4-(aminomethyl)-N-octyl-N-propylaniline
CID 43275934
ethane;4-methyl-N,N-dipentylaniline
CID 144729542

Frequently Asked Questions

What is the IUPAC name of N'-hexyl-N'-[4-[[(5-methylfuran-2-yl)methylideneamino]methyl]phenyl]-N-propylbutane-1,4-diamine?
The IUPAC name of N'-hexyl-N'-[4-[[(5-methylfuran-2-yl)methylideneamino]methyl]phenyl]-N-propylbutane-1,4-diamine (CID 143415741) is N'-hexyl-N'-[4-[[(5-methylfuran-2-yl)methylideneamino]methyl]phenyl]-N-propylbutane-1,4-diamine.
What is the SMILES notation for N'-hexyl-N'-[4-[[(5-methylfuran-2-yl)methylideneamino]methyl]phenyl]-N-propylbutane-1,4-diamine?
The canonical SMILES for N'-hexyl-N'-[4-[[(5-methylfuran-2-yl)methylideneamino]methyl]phenyl]-N-propylbutane-1,4-diamine is CCCCCCN(CCCCNCCC)c1ccc(C/N=C/c2ccc(C)o2)cc1.
What is the InChIKey of N'-hexyl-N'-[4-[[(5-methylfuran-2-yl)methylideneamino]methyl]phenyl]-N-propylbutane-1,4-diamine?
The InChIKey is ZUOGGLAOWZHFHV-XAYXJRQQSA-N. The full InChI is InChI=1S/C26H41N3O/c1-4-6-7-9-19-29(20-10-8-18-27-17-5-2)25-14-12-24(13-15-25)21-28-22-26-16-11-23(3)30-26/h11-16,22,27H,4-10,17-21H2,1-3H3/b28-22+.
What are the key properties of N'-hexyl-N'-[4-[[(5-methylfuran-2-yl)methylideneamino]methyl]phenyl]-N-propylbutane-1,4-diamine?
N'-hexyl-N'-[4-[[(5-methylfuran-2-yl)methylideneamino]methyl]phenyl]-N-propylbutane-1,4-diamine has a molecular weight of 411.63 g/mol, XLogP of 6.37, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hexyl-N'-[4-[[(5-methylfuran-2-yl)methylideneamino]methyl]phenyl]-N-propylbutane-1,4-diamine is sourced from PubChem (CID 143415741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).