1-N-ethyl-4,4-dimethyl-1-N-(4-methylphenyl)-3-N-propylpentane-1,3-diamine

C19H34N2 — CID 63494801

IUPAC1-N-ethyl-4,4-dimethyl-1-N-(4-methylphenyl)-3-N-propylpentane-1,3-diamine
SMILESCCCNC(CCN(CC)c1ccc(C)cc1)C(C)(C)C
InChIInChI=1S/C19H34N2/c1-7-14-20-18(19(4,5)6)13-15-21(8-2)17-11-9-16(3)10-12-17/h9-12,18,20H,7-8,13-15H2,1-6H3
InChIKeyCJMHKJLDCXPWGU-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.63
Rot. Bonds8

About 1-N-ethyl-4,4-dimethyl-1-N-(4-methylphenyl)-3-N-propylpentane-1,3-diamine

1-N-ethyl-4,4-dimethyl-1-N-(4-methylphenyl)-3-N-propylpentane-1,3-diamine (PubChem CID 63494801) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 1-N-ethyl-4,4-dimethyl-1-N-(4-methylphenyl)-3-N-propylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N-ethyl-4,4-dimethyl-1-N-(4-methylphenyl)-3-N-propylpentane-1,3-diamine
PubChem CID63494801
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name1-N-ethyl-4,4-dimethyl-1-N-(4-methylphenyl)-3-N-propylpentane-1,3-diamine
SMILESCCCNC(CCN(CC)c1ccc(C)cc1)C(C)(C)C
InChIInChI=1S/C19H34N2/c1-7-14-20-18(19(4,5)6)13-15-21(8-2)17-11-9-16(3)10-12-17/h9-12,18,20H,7-8,13-15H2,1-6H3
InChIKeyCJMHKJLDCXPWGU-UHFFFAOYSA-N
XLogP4.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-methyl-N,N-dipropylaniline
CID 143993396
1-N,4,4-trimethyl-1-N-[(3-methylphenyl)methyl]-3-N-propylpentane-1,3-diamine
CID 63494152
N-[3-(4-aminophenyl)butyl]-N-ethyl-4-methylaniline
CID 104501623
1-N-ethyl-4,4-dimethyl-3-N-propyl-1-N-(pyridin-4-ylmethyl)pentane-1,3-diamine
CID 62623357
1-(2-chloro-4-methylphenyl)-4,4-dimethyl-N-propylpentan-3-amine
CID 106864903
1-N-[(4-fluorophenyl)methyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
CID 62622855
ethane;N-ethyl-4-propan-2-yl-N-propylaniline
CID 145169701
4-[(tert-butylamino)methyl]-N-ethyl-N-propylaniline
CID 55147217
3-(N-ethyl-4-methylanilino)-1-phenylpropan-1-ol
CID 62613271
2-amino-4-(N-ethyl-4-methylanilino)butanoic acid
CID 63052954
N-tert-butyl-N'-ethyl-2-methyl-N'-(4-methylphenyl)propane-1,3-diamine
CID 62437274
1-chloro-4-methylbenzene;4-methyl-N,N-dipropylaniline
CID 142864428

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-4,4-dimethyl-1-N-(4-methylphenyl)-3-N-propylpentane-1,3-diamine?
The IUPAC name of 1-N-ethyl-4,4-dimethyl-1-N-(4-methylphenyl)-3-N-propylpentane-1,3-diamine (CID 63494801) is 1-N-ethyl-4,4-dimethyl-1-N-(4-methylphenyl)-3-N-propylpentane-1,3-diamine.
What is the SMILES notation for 1-N-ethyl-4,4-dimethyl-1-N-(4-methylphenyl)-3-N-propylpentane-1,3-diamine?
The canonical SMILES for 1-N-ethyl-4,4-dimethyl-1-N-(4-methylphenyl)-3-N-propylpentane-1,3-diamine is CCCNC(CCN(CC)c1ccc(C)cc1)C(C)(C)C.
What is the InChIKey of 1-N-ethyl-4,4-dimethyl-1-N-(4-methylphenyl)-3-N-propylpentane-1,3-diamine?
The InChIKey is CJMHKJLDCXPWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-7-14-20-18(19(4,5)6)13-15-21(8-2)17-11-9-16(3)10-12-17/h9-12,18,20H,7-8,13-15H2,1-6H3.
What are the key properties of 1-N-ethyl-4,4-dimethyl-1-N-(4-methylphenyl)-3-N-propylpentane-1,3-diamine?
1-N-ethyl-4,4-dimethyl-1-N-(4-methylphenyl)-3-N-propylpentane-1,3-diamine has a molecular weight of 290.50 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-4,4-dimethyl-1-N-(4-methylphenyl)-3-N-propylpentane-1,3-diamine is sourced from PubChem (CID 63494801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).