ethane;N'-ethyl-N-[[4-[(methylideneamino)methyl]phenyl]methyl]-N'-propylbutane-1,4-diamine

C20H37N3 — CID 143415663

IUPACethane;N'-ethyl-N-[[4-[(methylideneamino)methyl]phenyl]methyl]-N'-propylbutane-1,4-diamine
SMILESC=NCc1ccc(CNCCCCN(CC)CCC)cc1.CC
InChIInChI=1S/C18H31N3.C2H6/c1-4-13-21(5-2)14-7-6-12-20-16-18-10-8-17(9-11-18)15-19-3;1-2/h8-11,20H,3-7,12-16H2,1-2H3;1-2H3
InChIKeyIRYIIZIQBSAUEK-UHFFFAOYSA-N
MW319.54 g/mol
LogP4.52
Rot. Bonds12

About ethane;N'-ethyl-N-[[4-[(methylideneamino)methyl]phenyl]methyl]-N'-propylbutane-1,4-diamine

ethane;N'-ethyl-N-[[4-[(methylideneamino)methyl]phenyl]methyl]-N'-propylbutane-1,4-diamine (PubChem CID 143415663) has the molecular formula C20H37N3 and a molecular weight of 319.54 g/mol. Its IUPAC name is ethane;N'-ethyl-N-[[4-[(methylideneamino)methyl]phenyl]methyl]-N'-propylbutane-1,4-diamine.

Molecular Properties

Compound Nameethane;N'-ethyl-N-[[4-[(methylideneamino)methyl]phenyl]methyl]-N'-propylbutane-1,4-diamine
PubChem CID143415663
Molecular FormulaC20H37N3
Molecular Weight319.54 g/mol
Exact Mass319.30
IUPAC Nameethane;N'-ethyl-N-[[4-[(methylideneamino)methyl]phenyl]methyl]-N'-propylbutane-1,4-diamine
SMILESC=NCc1ccc(CNCCCCN(CC)CCC)cc1.CC
InChIInChI=1S/C18H31N3.C2H6/c1-4-13-21(5-2)14-7-6-12-20-16-18-10-8-17(9-11-18)15-19-3;1-2/h8-11,20H,3-7,12-16H2,1-2H3;1-2H3
InChIKeyIRYIIZIQBSAUEK-UHFFFAOYSA-N
XLogP4.52
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.54
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N'-ethyl-N'-propylethane-1,2-diamine
CID 62573632
N'-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]-N'-propylethane-1,2-diamine
CID 103720680
N-[[4-(aminomethyl)phenyl]methyl]-N',N'-dipropylbutane-1,4-diamine;N',N'-dipropyl-N-[[4-[[[4-(trifluoromethyl)phenyl]methylideneamino]methyl]phenyl]methyl]butane-1,4-diamine;4-(trifluoromethyl)benzaldehyde
CID 161367322
4-[[2-[ethyl(propyl)amino]ethylamino]methyl]benzamide
CID 103720708
N-[(3-chlorophenyl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 4712070
N,N-dimethyl-4-[(pentylamino)methyl]aniline;hydrochloride
CID 17290940
4-[[4-(diethylamino)butylamino]methyl]-2-methoxyphenol
CID 82364248
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
N-[[3-(dimethylamino)-4-fluorophenyl]methyl]-N',N'-diethylpropane-1,3-diamine
CID 84753829
N'-ethyl-N-(furan-3-ylmethyl)-N'-propylethane-1,2-diamine
CID 62575992
N,N'-bis[[4-(dimethylamino)phenyl]methyl]octane-1,8-diamine
CID 3029601
N-[(4-ethylphenyl)methyl]pentan-1-amine;hydrochloride
CID 17291031

Frequently Asked Questions

What is the IUPAC name of ethane;N'-ethyl-N-[[4-[(methylideneamino)methyl]phenyl]methyl]-N'-propylbutane-1,4-diamine?
The IUPAC name of ethane;N'-ethyl-N-[[4-[(methylideneamino)methyl]phenyl]methyl]-N'-propylbutane-1,4-diamine (CID 143415663) is ethane;N'-ethyl-N-[[4-[(methylideneamino)methyl]phenyl]methyl]-N'-propylbutane-1,4-diamine.
What is the SMILES notation for ethane;N'-ethyl-N-[[4-[(methylideneamino)methyl]phenyl]methyl]-N'-propylbutane-1,4-diamine?
The canonical SMILES for ethane;N'-ethyl-N-[[4-[(methylideneamino)methyl]phenyl]methyl]-N'-propylbutane-1,4-diamine is C=NCc1ccc(CNCCCCN(CC)CCC)cc1.CC.
What is the InChIKey of ethane;N'-ethyl-N-[[4-[(methylideneamino)methyl]phenyl]methyl]-N'-propylbutane-1,4-diamine?
The InChIKey is IRYIIZIQBSAUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3.C2H6/c1-4-13-21(5-2)14-7-6-12-20-16-18-10-8-17(9-11-18)15-19-3;1-2/h8-11,20H,3-7,12-16H2,1-2H3;1-2H3.
What are the key properties of ethane;N'-ethyl-N-[[4-[(methylideneamino)methyl]phenyl]methyl]-N'-propylbutane-1,4-diamine?
ethane;N'-ethyl-N-[[4-[(methylideneamino)methyl]phenyl]methyl]-N'-propylbutane-1,4-diamine has a molecular weight of 319.54 g/mol, XLogP of 4.52, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-ethyl-N-[[4-[(methylideneamino)methyl]phenyl]methyl]-N'-propylbutane-1,4-diamine is sourced from PubChem (CID 143415663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).