N-ethyl-4-[1-(ethylamino)propyl]-N-propan-2-ylaniline

C16H28N2 — CID 114066010

IUPACN-ethyl-4-[1-(ethylamino)propyl]-N-propan-2-ylaniline
SMILESCCNC(CC)c1ccc(N(CC)C(C)C)cc1
InChIInChI=1S/C16H28N2/c1-6-16(17-7-2)14-9-11-15(12-10-14)18(8-3)13(4)5/h9-13,16-17H,6-8H2,1-5H3
InChIKeyCDMTXDVNPLPCGG-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.98
Rot. Bonds7

About N-ethyl-4-[1-(ethylamino)propyl]-N-propan-2-ylaniline

N-ethyl-4-[1-(ethylamino)propyl]-N-propan-2-ylaniline (PubChem CID 114066010) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-ethyl-4-[1-(ethylamino)propyl]-N-propan-2-ylaniline.

Molecular Properties

Compound NameN-ethyl-4-[1-(ethylamino)propyl]-N-propan-2-ylaniline
PubChem CID114066010
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-ethyl-4-[1-(ethylamino)propyl]-N-propan-2-ylaniline
SMILESCCNC(CC)c1ccc(N(CC)C(C)C)cc1
InChIInChI=1S/C16H28N2/c1-6-16(17-7-2)14-9-11-15(12-10-14)18(8-3)13(4)5/h9-13,16-17H,6-8H2,1-5H3
InChIKeyCDMTXDVNPLPCGG-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-4-[1-(ethylamino)ethyl]-N-propan-2-ylaniline
CID 43284571
4-[4-[1-(ethylamino)propyl]phenyl]-N,N-dimethylaniline
CID 61025300
4-[(1R)-1-aminoethyl]-N-ethyl-N-propan-2-ylaniline
CID 78936154
N,3-diethyl-1-(4-propan-2-ylphenyl)pentan-1-amine
CID 82920734
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropan-1-amine
CID 43490454
N,N-diethyl-4-[1-(methylamino)propyl]aniline
CID 70917104
4-[(1S)-1-aminoethyl]-N-butan-2-yl-N-ethylaniline
CID 63368258
N-ethyl-1-(4-phenoxyphenyl)propan-1-amine
CID 43489604
2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-propan-2-ylamino]ethanol
CID 112584333
4-[(tert-butylamino)methyl]-N-ethyl-N-propan-2-ylaniline
CID 63059473
N-ethyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 114980102
4-[ethyl(propan-2-yl)amino]benzoic acid
CID 43265964

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[1-(ethylamino)propyl]-N-propan-2-ylaniline?
The IUPAC name of N-ethyl-4-[1-(ethylamino)propyl]-N-propan-2-ylaniline (CID 114066010) is N-ethyl-4-[1-(ethylamino)propyl]-N-propan-2-ylaniline.
What is the SMILES notation for N-ethyl-4-[1-(ethylamino)propyl]-N-propan-2-ylaniline?
The canonical SMILES for N-ethyl-4-[1-(ethylamino)propyl]-N-propan-2-ylaniline is CCNC(CC)c1ccc(N(CC)C(C)C)cc1.
What is the InChIKey of N-ethyl-4-[1-(ethylamino)propyl]-N-propan-2-ylaniline?
The InChIKey is CDMTXDVNPLPCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-6-16(17-7-2)14-9-11-15(12-10-14)18(8-3)13(4)5/h9-13,16-17H,6-8H2,1-5H3.
What are the key properties of N-ethyl-4-[1-(ethylamino)propyl]-N-propan-2-ylaniline?
N-ethyl-4-[1-(ethylamino)propyl]-N-propan-2-ylaniline has a molecular weight of 248.41 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[1-(ethylamino)propyl]-N-propan-2-ylaniline is sourced from PubChem (CID 114066010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).