N-(1-tert-butyliminohept-2-en-3-yl)aniline

C17H26N2 — CID 86218170

IUPACN-(1-tert-butyliminohept-2-en-3-yl)aniline
SMILESCCCCC(=C/C=N/C(C)(C)C)Nc1ccccc1
InChIInChI=1S/C17H26N2/c1-5-6-10-16(13-14-18-17(2,3)4)19-15-11-8-7-9-12-15/h7-9,11-14,19H,5-6,10H2,1-4H3/b16-13?,18-14+
InChIKeyKHYJLKQCAYGNIJ-IVJOEOEUSA-N
MW258.41 g/mol
LogP5.04
Rot. Bonds6

About N-(1-tert-butyliminohept-2-en-3-yl)aniline

N-(1-tert-butyliminohept-2-en-3-yl)aniline (PubChem CID 86218170) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-(1-tert-butyliminohept-2-en-3-yl)aniline.

Molecular Properties

Compound NameN-(1-tert-butyliminohept-2-en-3-yl)aniline
PubChem CID86218170
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-(1-tert-butyliminohept-2-en-3-yl)aniline
SMILESCCCCC(=C/C=N/C(C)(C)C)Nc1ccccc1
InChIInChI=1S/C17H26N2/c1-5-6-10-16(13-14-18-17(2,3)4)19-15-11-8-7-9-12-15/h7-9,11-14,19H,5-6,10H2,1-4H3/b16-13?,18-14+
InChIKeyKHYJLKQCAYGNIJ-IVJOEOEUSA-N
XLogP5.04
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.41
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-4-anilino-1,1,1-trifluoronon-3-en-2-one
CID 102162222
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
ethyl 3-anilinodec-2-enoate
CID 68860790
N-[3-(phenylcarbamoylamino)phenyl]pentanamide
CID 51326660
(Z)-N-phenyloctadec-9-enamide
CID 5354590
N-phenyldocos-13-enamide
CID 54224492
2-butyl-2-ethyl-N,N'-diphenylpropanediamide
CID 170847638
N-phenyloctanethioamide
CID 3767527
N-[(4-anilino-4-oxobutan-2-ylidene)amino]dodecanamide
CID 4549541
N-phenyldec-2-enamide
CID 72974313
5-oxo-N-phenylheptadecanamide
CID 3308902

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyliminohept-2-en-3-yl)aniline?
The IUPAC name of N-(1-tert-butyliminohept-2-en-3-yl)aniline (CID 86218170) is N-(1-tert-butyliminohept-2-en-3-yl)aniline.
What is the SMILES notation for N-(1-tert-butyliminohept-2-en-3-yl)aniline?
The canonical SMILES for N-(1-tert-butyliminohept-2-en-3-yl)aniline is CCCCC(=C/C=N/C(C)(C)C)Nc1ccccc1.
What is the InChIKey of N-(1-tert-butyliminohept-2-en-3-yl)aniline?
The InChIKey is KHYJLKQCAYGNIJ-IVJOEOEUSA-N. The full InChI is InChI=1S/C17H26N2/c1-5-6-10-16(13-14-18-17(2,3)4)19-15-11-8-7-9-12-15/h7-9,11-14,19H,5-6,10H2,1-4H3/b16-13?,18-14+.
What are the key properties of N-(1-tert-butyliminohept-2-en-3-yl)aniline?
N-(1-tert-butyliminohept-2-en-3-yl)aniline has a molecular weight of 258.41 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butyliminohept-2-en-3-yl)aniline is sourced from PubChem (CID 86218170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).