N'-butan-2-yl-N'-ethyl-1-phenylbutane-1,4-diamine

C16H28N2 — CID 63321755

IUPACN'-butan-2-yl-N'-ethyl-1-phenylbutane-1,4-diamine
SMILESCCC(C)N(CC)CCCC(N)c1ccccc1
InChIInChI=1S/C16H28N2/c1-4-14(3)18(5-2)13-9-12-16(17)15-10-7-6-8-11-15/h6-8,10-11,14,16H,4-5,9,12-13,17H2,1-3H3
InChIKeyHDEXTRVTGSUHDA-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.59
Rot. Bonds8

About N'-butan-2-yl-N'-ethyl-1-phenylbutane-1,4-diamine

N'-butan-2-yl-N'-ethyl-1-phenylbutane-1,4-diamine (PubChem CID 63321755) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N'-butan-2-yl-N'-ethyl-1-phenylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N'-ethyl-1-phenylbutane-1,4-diamine
PubChem CID63321755
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN'-butan-2-yl-N'-ethyl-1-phenylbutane-1,4-diamine
SMILESCCC(C)N(CC)CCCC(N)c1ccccc1
InChIInChI=1S/C16H28N2/c1-4-14(3)18(5-2)13-9-12-16(17)15-10-7-6-8-11-15/h6-8,10-11,14,16H,4-5,9,12-13,17H2,1-3H3
InChIKeyHDEXTRVTGSUHDA-UHFFFAOYSA-N
XLogP3.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethyl-N'-methyl-1-phenylbutane-1,4-diamine
CID 63322236
N'-butan-2-yl-1-(3-chlorophenyl)-N'-ethylpropane-1,3-diamine
CID 55098796
N'-methyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylbutane-1,4-diamine
CID 112661233
N',N'-bis(2-methylpropyl)-1-phenylbutane-1,4-diamine
CID 63321844
N'-ethyl-N'-heptyl-1-phenylbutane-1,4-diamine
CID 174264549
3-[butan-2-yl(ethyl)amino]-1-phenylpropan-1-ol
CID 62613917
1-phenyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 63321804
N'-butan-2-yl-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine
CID 62617195
1-phenylhexan-1-amine;hydrochloride
CID 3033249
1-phenyldecan-1-amine
CID 43175860
1-phenylheptadecan-1-amine;hydrobromide
CID 20538047
4-[ethyl-[(1R)-1-phenylethyl]amino]butan-1-ol
CID 129034055

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N'-ethyl-1-phenylbutane-1,4-diamine?
The IUPAC name of N'-butan-2-yl-N'-ethyl-1-phenylbutane-1,4-diamine (CID 63321755) is N'-butan-2-yl-N'-ethyl-1-phenylbutane-1,4-diamine.
What is the SMILES notation for N'-butan-2-yl-N'-ethyl-1-phenylbutane-1,4-diamine?
The canonical SMILES for N'-butan-2-yl-N'-ethyl-1-phenylbutane-1,4-diamine is CCC(C)N(CC)CCCC(N)c1ccccc1.
What is the InChIKey of N'-butan-2-yl-N'-ethyl-1-phenylbutane-1,4-diamine?
The InChIKey is HDEXTRVTGSUHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-4-14(3)18(5-2)13-9-12-16(17)15-10-7-6-8-11-15/h6-8,10-11,14,16H,4-5,9,12-13,17H2,1-3H3.
What are the key properties of N'-butan-2-yl-N'-ethyl-1-phenylbutane-1,4-diamine?
N'-butan-2-yl-N'-ethyl-1-phenylbutane-1,4-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N'-ethyl-1-phenylbutane-1,4-diamine is sourced from PubChem (CID 63321755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).