3-ethyl-3-phenyltricosan-4-amine

C31H57N — CID 21316172

IUPAC3-ethyl-3-phenyltricosan-4-amine
SMILESCCCCCCCCCCCCCCCCCCCC(N)C(CC)(CC)c1ccccc1
InChIInChI=1S/C31H57N/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-30(32)31(5-2,6-3)29-26-23-22-24-27-29/h22-24,26-27,30H,4-21,25,28,32H2,1-3H3
InChIKeyWSKCCKHMQIVUHA-UHFFFAOYSA-N
MW443.80 g/mol
LogP10.11
Rot. Bonds22

About 3-ethyl-3-phenyltricosan-4-amine

3-ethyl-3-phenyltricosan-4-amine (PubChem CID 21316172) has the molecular formula C31H57N and a molecular weight of 443.80 g/mol. Its IUPAC name is 3-ethyl-3-phenyltricosan-4-amine.

Molecular Properties

Compound Name3-ethyl-3-phenyltricosan-4-amine
PubChem CID21316172
Molecular FormulaC31H57N
Molecular Weight443.80 g/mol
Exact Mass443.45
IUPAC Name3-ethyl-3-phenyltricosan-4-amine
SMILESCCCCCCCCCCCCCCCCCCCC(N)C(CC)(CC)c1ccccc1
InChIInChI=1S/C31H57N/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-30(32)31(5-2,6-3)29-26-23-22-24-27-29/h22-24,26-27,30H,4-21,25,28,32H2,1-3H3
InChIKeyWSKCCKHMQIVUHA-UHFFFAOYSA-N
XLogP10.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.80
LogP ≤ 510.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-3-phenylheptadecan-4-amine;hydrochloride
CID 173450724
3,3-diphenylhenicosan-4-amine;hydrochloride
CID 173426885
2-methyl-2-phenylnonan-3-amine
CID 63420123
2,2-diphenyloctadecan-3-amine;hydrochloride
CID 173427037
5-ethyl-1,1,1-trifluoro-5-phenylheptan-4-amine
CID 64564957
1-ethoxy-4-ethyl-4-phenylhexan-3-amine
CID 114992855
1,1,1-triphenylhexan-2-amine
CID 164823082
(2S)-3-ethyl-3-phenylpentan-2-amine
CID 64712581
1,1,2-triphenyltetradecan-1-amine
CID 87776795
(3-ethyl-3-phenyloctan-4-yl)azanium hydroxide
CID 21316151
chloromethane;1-phenyltridecan-1-amine
CID 175245788
(2-butyl-1,1-diphenyldecyl)benzene
CID 150177254

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-phenyltricosan-4-amine?
The IUPAC name of 3-ethyl-3-phenyltricosan-4-amine (CID 21316172) is 3-ethyl-3-phenyltricosan-4-amine.
What is the SMILES notation for 3-ethyl-3-phenyltricosan-4-amine?
The canonical SMILES for 3-ethyl-3-phenyltricosan-4-amine is CCCCCCCCCCCCCCCCCCCC(N)C(CC)(CC)c1ccccc1.
What is the InChIKey of 3-ethyl-3-phenyltricosan-4-amine?
The InChIKey is WSKCCKHMQIVUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H57N/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-30(32)31(5-2,6-3)29-26-23-22-24-27-29/h22-24,26-27,30H,4-21,25,28,32H2,1-3H3.
What are the key properties of 3-ethyl-3-phenyltricosan-4-amine?
3-ethyl-3-phenyltricosan-4-amine has a molecular weight of 443.80 g/mol, XLogP of 10.11, 22 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-phenyltricosan-4-amine is sourced from PubChem (CID 21316172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).