4-ethyl-4-N,4-N-dimethyl-1-phenyl-3-N-propylhexane-3,4-diamine

C19H34N2 — CID 79059352

IUPAC4-ethyl-4-N,4-N-dimethyl-1-phenyl-3-N-propylhexane-3,4-diamine
SMILESCCCNC(CCc1ccccc1)C(CC)(CC)N(C)C
InChIInChI=1S/C19H34N2/c1-6-16-20-18(19(7-2,8-3)21(4)5)15-14-17-12-10-9-11-13-17/h9-13,18,20H,6-8,14-16H2,1-5H3
InChIKeyJTGKCMZSNKTDAJ-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.11
Rot. Bonds10

About 4-ethyl-4-N,4-N-dimethyl-1-phenyl-3-N-propylhexane-3,4-diamine

4-ethyl-4-N,4-N-dimethyl-1-phenyl-3-N-propylhexane-3,4-diamine (PubChem CID 79059352) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 4-ethyl-4-N,4-N-dimethyl-1-phenyl-3-N-propylhexane-3,4-diamine.

Molecular Properties

Compound Name4-ethyl-4-N,4-N-dimethyl-1-phenyl-3-N-propylhexane-3,4-diamine
PubChem CID79059352
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name4-ethyl-4-N,4-N-dimethyl-1-phenyl-3-N-propylhexane-3,4-diamine
SMILESCCCNC(CCc1ccccc1)C(CC)(CC)N(C)C
InChIInChI=1S/C19H34N2/c1-6-16-20-18(19(7-2,8-3)21(4)5)15-14-17-12-10-9-11-13-17/h9-13,18,20H,6-8,14-16H2,1-5H3
InChIKeyJTGKCMZSNKTDAJ-UHFFFAOYSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-N,2-trimethyl-5-phenyl-3-N-propylpentane-2,3-diamine
CID 79054320
3-N,3-N,3-trimethyl-7-phenyl-4-N-propylheptane-3,4-diamine
CID 79057538
3-ethyl-3-N,3-N-dimethyl-4-N-propyloctane-3,4-diamine
CID 79061055
1-N,1-N-dimethyl-4-phenyl-2-N-propylbutane-1,2-diamine
CID 79089217
4-N,4-N,4-triethyl-3-N-methyl-1-phenylhexane-3,4-diamine
CID 79060132
3-ethyl-3-N,3-N-dimethyl-4-N-propyloct-7-yne-3,4-diamine
CID 79061768
2-methoxy-2-methyl-6-phenyl-N-propylhexan-3-amine
CID 79198405
3-ethyl-3-N,3-N-dimethyl-4-N-propylnon-8-ene-3,4-diamine
CID 79061629
2,4-dimethyl-6-phenyl-N-propylhexan-3-amine
CID 79298844
1-(5-bromo-2-pyridinyl)-3-ethyl-3-N,3-N-dimethyl-2-N-propylpentane-2,3-diamine
CID 104802996
1-(2-methylpyrazol-3-yl)-5-phenyl-N-propylpentan-3-amine
CID 103009511
6-phenyl-N-propylhexan-2-amine
CID 61485022

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-N,4-N-dimethyl-1-phenyl-3-N-propylhexane-3,4-diamine?
The IUPAC name of 4-ethyl-4-N,4-N-dimethyl-1-phenyl-3-N-propylhexane-3,4-diamine (CID 79059352) is 4-ethyl-4-N,4-N-dimethyl-1-phenyl-3-N-propylhexane-3,4-diamine.
What is the SMILES notation for 4-ethyl-4-N,4-N-dimethyl-1-phenyl-3-N-propylhexane-3,4-diamine?
The canonical SMILES for 4-ethyl-4-N,4-N-dimethyl-1-phenyl-3-N-propylhexane-3,4-diamine is CCCNC(CCc1ccccc1)C(CC)(CC)N(C)C.
What is the InChIKey of 4-ethyl-4-N,4-N-dimethyl-1-phenyl-3-N-propylhexane-3,4-diamine?
The InChIKey is JTGKCMZSNKTDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-6-16-20-18(19(7-2,8-3)21(4)5)15-14-17-12-10-9-11-13-17/h9-13,18,20H,6-8,14-16H2,1-5H3.
What are the key properties of 4-ethyl-4-N,4-N-dimethyl-1-phenyl-3-N-propylhexane-3,4-diamine?
4-ethyl-4-N,4-N-dimethyl-1-phenyl-3-N-propylhexane-3,4-diamine has a molecular weight of 290.50 g/mol, XLogP of 4.11, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-N,4-N-dimethyl-1-phenyl-3-N-propylhexane-3,4-diamine is sourced from PubChem (CID 79059352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).