N-pent-3-enyl-2,6-di(propan-2-yl)aniline

C17H27N — CID 175052075

IUPACN-pent-3-enyl-2,6-di(propan-2-yl)aniline
SMILESCC=CCCNc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C17H27N/c1-6-7-8-12-18-17-15(13(2)3)10-9-11-16(17)14(4)5/h6-7,9-11,13-14,18H,8,12H2,1-5H3
InChIKeyVJBILTSBYKSXDD-UHFFFAOYSA-N
MW245.41 g/mol
LogP5.31
Rot. Bonds6

About N-pent-3-enyl-2,6-di(propan-2-yl)aniline

N-pent-3-enyl-2,6-di(propan-2-yl)aniline (PubChem CID 175052075) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-pent-3-enyl-2,6-di(propan-2-yl)aniline.

Molecular Properties

Compound NameN-pent-3-enyl-2,6-di(propan-2-yl)aniline
PubChem CID175052075
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-pent-3-enyl-2,6-di(propan-2-yl)aniline
SMILESCC=CCCNc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C17H27N/c1-6-7-8-12-18-17-15(13(2)3)10-9-11-16(17)14(4)5/h6-7,9-11,13-14,18H,8,12H2,1-5H3
InChIKeyVJBILTSBYKSXDD-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.41
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2,6-di(propan-2-yl)anilino]ethoxy]ethyl]-2,6-di(propan-2-yl)aniline
CID 86189291
3-[2,6-di(propan-2-yl)anilino]propanenitrile
CID 82041201
2,6-di(propan-2-yl)-N-[(Z)-prop-1-enyl]aniline
CID 130282228
(E)-N-[1-(2,3-dimethylphenyl)ethyl]pent-3-en-1-amine
CID 115890252
N-butan-2-yl-3-[2,6-di(propan-2-yl)anilino]propanamide
CID 109013041
(E)-N-[1-(2-chlorophenyl)ethyl]pent-3-en-1-amine
CID 115677066
N-ethyl-2,6-di(propan-2-yl)aniline;trichlorocobalt
CID 175492359
N-cyclopropyl-3-[2,6-di(propan-2-yl)anilino]propanamide
CID 109011766
N-[2-(6-bromo-2-pyridinyl)ethyl]-2,6-di(propan-2-yl)aniline
CID 175069379
4-[3-[2,6-di(propan-2-yl)anilino]propanoyl]piperazine-1-carbaldehyde
CID 109017912
CID 11850391
CID 11850391
N-(3-acetamidophenyl)-3-[2,6-di(propan-2-yl)anilino]propanamide
CID 109041113

Frequently Asked Questions

What is the IUPAC name of N-pent-3-enyl-2,6-di(propan-2-yl)aniline?
The IUPAC name of N-pent-3-enyl-2,6-di(propan-2-yl)aniline (CID 175052075) is N-pent-3-enyl-2,6-di(propan-2-yl)aniline.
What is the SMILES notation for N-pent-3-enyl-2,6-di(propan-2-yl)aniline?
The canonical SMILES for N-pent-3-enyl-2,6-di(propan-2-yl)aniline is CC=CCCNc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of N-pent-3-enyl-2,6-di(propan-2-yl)aniline?
The InChIKey is VJBILTSBYKSXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-6-7-8-12-18-17-15(13(2)3)10-9-11-16(17)14(4)5/h6-7,9-11,13-14,18H,8,12H2,1-5H3.
What are the key properties of N-pent-3-enyl-2,6-di(propan-2-yl)aniline?
N-pent-3-enyl-2,6-di(propan-2-yl)aniline has a molecular weight of 245.41 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-3-enyl-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 175052075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).