3-(4-methoxyphenyl)-4-N,4-N-dimethylheptane-3,4-diamine

C16H28N2O — CID 43829878

IUPAC3-(4-methoxyphenyl)-4-N,4-N-dimethylheptane-3,4-diamine
SMILESCCCC(N(C)C)C(N)(CC)c1ccc(OC)cc1
InChIInChI=1S/C16H28N2O/c1-6-8-15(18(3)4)16(17,7-2)13-9-11-14(19-5)12-10-13/h9-12,15H,6-8,17H2,1-5H3
InChIKeyLXSKSLIBDIHIEA-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.99
Rot. Bonds7

About 3-(4-methoxyphenyl)-4-N,4-N-dimethylheptane-3,4-diamine

3-(4-methoxyphenyl)-4-N,4-N-dimethylheptane-3,4-diamine (PubChem CID 43829878) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4-N,4-N-dimethylheptane-3,4-diamine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4-N,4-N-dimethylheptane-3,4-diamine
PubChem CID43829878
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name3-(4-methoxyphenyl)-4-N,4-N-dimethylheptane-3,4-diamine
SMILESCCCC(N(C)C)C(N)(CC)c1ccc(OC)cc1
InChIInChI=1S/C16H28N2O/c1-6-8-15(18(3)4)16(17,7-2)13-9-11-14(19-5)12-10-13/h9-12,15H,6-8,17H2,1-5H3
InChIKeyLXSKSLIBDIHIEA-UHFFFAOYSA-N
XLogP2.99
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)-5-N,5-N-dimethylnon-1-ene-4,5-diamine
CID 43829893
2-(4-methoxyphenyl)-1-N,1-N-dimethylbutane-1,2-diamine
CID 43829907
3-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pentan-3-amine
CID 43829826
2-(4-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine
CID 43829876
N'-[(3R)-2,2-dimethylhexan-3-yl]-4-methoxy-N'-methylbenzohydrazide
CID 167148594
2-(4-methoxyphenyl)pentan-2-amine
CID 43810210
1-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]pentan-2-ol
CID 71211206
3-[4-[(1E,3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]phenyl]pentan-3-amine
CID 118630726
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
2-(4-methoxyphenyl)heptan-2-amine
CID 62621826
1-(4-methoxyphenyl)-N'-methyl-N'-pentan-2-ylethane-1,2-diamine
CID 43572006
(2S)-1,1-bis(4-methoxyphenyl)propane-1,2-diamine
CID 58794752

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4-N,4-N-dimethylheptane-3,4-diamine?
The IUPAC name of 3-(4-methoxyphenyl)-4-N,4-N-dimethylheptane-3,4-diamine (CID 43829878) is 3-(4-methoxyphenyl)-4-N,4-N-dimethylheptane-3,4-diamine.
What is the SMILES notation for 3-(4-methoxyphenyl)-4-N,4-N-dimethylheptane-3,4-diamine?
The canonical SMILES for 3-(4-methoxyphenyl)-4-N,4-N-dimethylheptane-3,4-diamine is CCCC(N(C)C)C(N)(CC)c1ccc(OC)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4-N,4-N-dimethylheptane-3,4-diamine?
The InChIKey is LXSKSLIBDIHIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-6-8-15(18(3)4)16(17,7-2)13-9-11-14(19-5)12-10-13/h9-12,15H,6-8,17H2,1-5H3.
What are the key properties of 3-(4-methoxyphenyl)-4-N,4-N-dimethylheptane-3,4-diamine?
3-(4-methoxyphenyl)-4-N,4-N-dimethylheptane-3,4-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4-N,4-N-dimethylheptane-3,4-diamine is sourced from PubChem (CID 43829878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).