3-ethyl-2-N,2-N-dimethyl-1-N-(1-phenylpropyl)pentane-1,2-diamine

C18H32N2 — CID 43105129

IUPAC3-ethyl-2-N,2-N-dimethyl-1-N-(1-phenylpropyl)pentane-1,2-diamine
SMILESCCC(NCC(C(CC)CC)N(C)C)c1ccccc1
InChIInChI=1S/C18H32N2/c1-6-15(7-2)18(20(4)5)14-19-17(8-3)16-12-10-9-11-13-16/h9-13,15,17-19H,6-8,14H2,1-5H3
InChIKeyBCUPTIWFSCMUJA-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.09
Rot. Bonds9

About 3-ethyl-2-N,2-N-dimethyl-1-N-(1-phenylpropyl)pentane-1,2-diamine

3-ethyl-2-N,2-N-dimethyl-1-N-(1-phenylpropyl)pentane-1,2-diamine (PubChem CID 43105129) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 3-ethyl-2-N,2-N-dimethyl-1-N-(1-phenylpropyl)pentane-1,2-diamine.

Molecular Properties

Compound Name3-ethyl-2-N,2-N-dimethyl-1-N-(1-phenylpropyl)pentane-1,2-diamine
PubChem CID43105129
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name3-ethyl-2-N,2-N-dimethyl-1-N-(1-phenylpropyl)pentane-1,2-diamine
SMILESCCC(NCC(C(CC)CC)N(C)C)c1ccccc1
InChIInChI=1S/C18H32N2/c1-6-15(7-2)18(20(4)5)14-19-17(8-3)16-12-10-9-11-13-16/h9-13,15,17-19H,6-8,14H2,1-5H3
InChIKeyBCUPTIWFSCMUJA-UHFFFAOYSA-N
XLogP4.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-(2,2-dimethoxyethyl)-1-phenylpropan-1-amine
CID 93314160
3-ethyl-2-N,2-N-dimethyl-1-N-(3-phenylbutyl)pentane-1,2-diamine
CID 63422232
1-(1-phenylpropylamino)butan-2-ol
CID 62305218
1-N-[1-(3-chlorophenyl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 43107194
2-N-cyclopropyl-2-N-methyl-1-N-(1-phenylpropyl)propane-1,2-diamine
CID 103781587
3-ethyl-1-N-[1-(furan-2-yl)ethyl]-2-N,2-N-dimethylpentane-1,2-diamine
CID 43208007
1-[2-(dimethylamino)-3-ethylpentyl]-3-(3-hydroxy-2-phenylpropyl)-2-methylguanidine
CID 109410065
1-[(2-methylpropan-2-yl)oxy]-3-(1-phenylpropylamino)propan-2-ol
CID 62306251
4-[1-[2-(dimethylamino)propylamino]propyl]phenol
CID 54913241
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-phenylpropan-1-amine
CID 43203759
2-[[[2-(dimethylamino)-3-ethylpentyl]amino]methyl]phenol
CID 43207997
4-[1-[(2-hydroxy-2-phenylethyl)amino]propyl]phenol
CID 43499212

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-N,2-N-dimethyl-1-N-(1-phenylpropyl)pentane-1,2-diamine?
The IUPAC name of 3-ethyl-2-N,2-N-dimethyl-1-N-(1-phenylpropyl)pentane-1,2-diamine (CID 43105129) is 3-ethyl-2-N,2-N-dimethyl-1-N-(1-phenylpropyl)pentane-1,2-diamine.
What is the SMILES notation for 3-ethyl-2-N,2-N-dimethyl-1-N-(1-phenylpropyl)pentane-1,2-diamine?
The canonical SMILES for 3-ethyl-2-N,2-N-dimethyl-1-N-(1-phenylpropyl)pentane-1,2-diamine is CCC(NCC(C(CC)CC)N(C)C)c1ccccc1.
What is the InChIKey of 3-ethyl-2-N,2-N-dimethyl-1-N-(1-phenylpropyl)pentane-1,2-diamine?
The InChIKey is BCUPTIWFSCMUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-6-15(7-2)18(20(4)5)14-19-17(8-3)16-12-10-9-11-13-16/h9-13,15,17-19H,6-8,14H2,1-5H3.
What are the key properties of 3-ethyl-2-N,2-N-dimethyl-1-N-(1-phenylpropyl)pentane-1,2-diamine?
3-ethyl-2-N,2-N-dimethyl-1-N-(1-phenylpropyl)pentane-1,2-diamine has a molecular weight of 276.47 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-N,2-N-dimethyl-1-N-(1-phenylpropyl)pentane-1,2-diamine is sourced from PubChem (CID 43105129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).