N'-butan-2-yl-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine

C16H28N2 — CID 62617195

IUPACN'-butan-2-yl-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine
SMILESCCC(C)N(CC)CC(C)C(N)c1ccccc1
InChIInChI=1S/C16H28N2/c1-5-14(4)18(6-2)12-13(3)16(17)15-10-8-7-9-11-15/h7-11,13-14,16H,5-6,12,17H2,1-4H3
InChIKeyMRLAKPRLLQRTAL-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.44
Rot. Bonds7

About N'-butan-2-yl-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine

N'-butan-2-yl-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine (PubChem CID 62617195) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N'-butan-2-yl-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine
PubChem CID62617195
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN'-butan-2-yl-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine
SMILESCCC(C)N(CC)CC(C)C(N)c1ccccc1
InChIInChI=1S/C16H28N2/c1-5-14(4)18(6-2)12-13(3)16(17)15-10-8-7-9-11-15/h7-11,13-14,16H,5-6,12,17H2,1-4H3
InChIKeyMRLAKPRLLQRTAL-UHFFFAOYSA-N
XLogP3.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethyl-N'-(1-methoxypropan-2-yl)-2-methyl-1-phenylpropane-1,3-diamine
CID 62618075
2-N,2-N-diethyl-1-phenylpropane-1,2-diamine
CID 16784984
N',N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62618546
N'-ethyl-2-methyl-N'-(2-methylpropyl)-1-phenylpropane-1,3-diamine
CID 62618547
2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylpropane-1,2-diamine
CID 61436521
2-N-ethyl-2-N-(2-methylpropyl)-1-phenylpropane-1,2-diamine
CID 43273646
2-N-butan-2-yl-2-N-ethyl-3-methyl-1-phenylbutane-1,2-diamine
CID 43274486
N'-ethyl-1,2-diphenyl-N'-propylethane-1,2-diamine
CID 43268684
2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylbutane-1,2-diamine
CID 63467588
2-[(3-amino-2-methyl-3-phenylpropyl)-(2-hydroxyethyl)amino]ethanol
CID 62619271
N'-butan-2-yl-N'-ethyl-1-phenylbutane-1,4-diamine
CID 63321755
1-N-ethyl-1-N-(2-methylbutyl)-1-phenylpropane-1,2-diamine
CID 79476713

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine?
The IUPAC name of N'-butan-2-yl-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine (CID 62617195) is N'-butan-2-yl-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-butan-2-yl-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine?
The canonical SMILES for N'-butan-2-yl-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine is CCC(C)N(CC)CC(C)C(N)c1ccccc1.
What is the InChIKey of N'-butan-2-yl-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine?
The InChIKey is MRLAKPRLLQRTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-14(4)18(6-2)12-13(3)16(17)15-10-8-7-9-11-15/h7-11,13-14,16H,5-6,12,17H2,1-4H3.
What are the key properties of N'-butan-2-yl-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine?
N'-butan-2-yl-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.44, 7 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-2-methyl-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 62617195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).